#------------------------------------------------------------------------------
#$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $
#$Revision: 26025 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/2015671.hkl $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2015671_Fobs
loop_
_publ_author_name
'Lemmerer, Andreas'
'Billing, David G.'
_publ_section_title
;
 Two packing motifs based upon chains of edge-sharing PbI~6~ octahedra
;
_journal_coeditor_code           AV3041
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m597
_journal_page_last               m601
_journal_volume                  62
_journal_year                    2006
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 122.725
_cell_angle_gamma                90.000
_cell_length_a                   30.1215
_cell_length_b                   4.6111
_cell_length_c                   20.4599
_exptl_crystal_F_000             1712.00
_reflns_d_resolution_high        0.7569
_[local]_cod_data_source_file    av3041IIsup3.hkl
_[local]_cod_data_source_block   II
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' 4as58_a                          C2/c'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            958.47
_shelx_f_squared_multiplier      1.000
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_refln_index_h
_refln_index_k
_refln_index_l
_refln_F_squared_calc
_refln_F_squared_meas
_refln_F_squared_sigma
_refln_observed_status
2 0 0 490041.22 388640.91 3601.85 o
4 0 0 86960.50 85607.06 2994.38 o
6 0 0 85412.62 85687.39 7492.26 o
8 0 0 162736.28 162315.83 4707.69 o
10 0 0 434625.31 420025.06 21624.94 o
12 0 0 325082.63 310612.91 13393.37 o
14 0 0 56777.87 57713.07 3130.13 o
16 0 0 387.98 970.82 219.87 o
18 0 0 668.02 487.26 371.95 o
20 0 0 11349.13 10787.11 470.86 o
22 0 0 27924.46 27398.80 634.41 o
24 0 0 10614.61 10766.59 498.23 o
26 0 0 1632.62 2014.60 336.74 o
28 0 0 12354.51 11950.58 834.97 o
30 0 0 221.62 730.60 533.12 o
32 0 0 496.05 -35.81 595.53 o
1 1 0 51306.70 53653.64 1112.33 o
3 1 0 50568.79 54066.05 2116.97 o
5 1 0 337494.97 337471.94 7328.87 o
7 1 0 77346.88 77893.64 1307.77 o
9 1 0 21615.92 22094.24 248.24 o
11 1 0 10318.84 10967.36 222.33 o
13 1 0 4566.68 4584.93 198.65 o
15 1 0 11329.88 11618.36 274.46 o
17 1 0 15113.79 15611.70 488.70 o
19 1 0 2577.01 3000.18 191.26 o
21 1 0 512.06 144.75 241.41 o
23 1 0 3134.36 3302.31 308.95 o
25 1 0 171.51 217.46 260.12 o
27 1 0 24.43 -181.60 270.97 o
29 1 0 99.37 194.66 299.20 o
31 1 0 280.85 102.18 352.40 o
33 1 0 2059.19 1614.40 494.36 o
0 2 0 149737.64 187723.33 12097.92 o
2 2 0 123782.02 131408.13 2570.66 o
4 2 0 1508.17 1866.39 105.60 o
6 2 0 319.20 703.02 159.03 o
8 2 0 37209.98 38964.70 496.77 o
10 2 0 67054.02 66372.70 807.31 o
12 2 0 70769.71 69729.00 1079.90 o
14 2 0 15061.55 15403.56 440.72 o
16 2 0 691.11 606.52 164.04 o
18 2 0 157.51 208.24 202.79 o
20 2 0 9325.41 9453.50 500.68 o
22 2 0 16932.98 17122.30 560.26 o
24 2 0 5593.75 5983.99 799.04 o
26 2 0 52.84 -258.00 402.57 o
28 2 0 231.59 136.53 350.42 o
30 2 0 34.46 -412.56 412.56 o
1 3 0 24183.87 22786.78 748.13 o
3 3 0 141191.53 144402.48 4140.91 o
5 3 0 193418.53 188890.98 5709.29 o
7 3 0 133618.61 132924.92 3228.65 o
9 3 0 29545.14 29123.36 376.71 o
11 3 0 4203.50 4077.22 200.15 o
13 3 0 9415.46 9240.46 301.59 o
15 3 0 29899.17 28271.20 448.08 o
17 3 0 31683.34 31393.06 487.95 o
19 3 0 7851.37 8184.00 345.74 o
21 3 0 363.32 12.31 273.01 o
23 3 0 1416.09 1456.75 435.42 o
25 3 0 78.33 396.14 440.91 o
27 3 0 2540.47 2800.75 544.82 o
29 3 0 756.64 1050.24 760.28 o
0 4 0 8727.43 14844.42 2105.86 o
2 4 0 12847.29 13648.43 738.97 o
4 4 0 11505.78 11014.36 450.74 o
6 4 0 10056.13 10064.26 243.28 o
8 4 0 6227.72 6609.75 368.32 o
10 4 0 1939.83 2303.48 191.65 o
12 4 0 467.09 626.20 268.98 o
14 4 0 346.84 204.09 272.04 o
16 4 0 347.72 367.73 274.09 o
18 4 0 31.05 -144.42 291.63 o
20 4 0 1254.72 1457.32 340.38 o
22 4 0 1064.59 1250.53 362.38 o
24 4 0 753.91 479.42 520.84 o
1 5 0 297.78 45.10 276.65 o
3 5 0 4360.96 4603.37 291.60 o
5 5 0 11898.74 11556.96 399.83 o
7 5 0 7426.63 7533.47 431.52 o
9 5 0 1434.38 1603.80 387.04 o
11 5 0 181.80 -265.29 317.93 o
13 5 0 458.04 969.63 362.85 o
15 5 0 6564.84 5452.50 478.54 o
17 5 0 7848.94 7125.66 519.46 o
19 5 0 2189.86 2642.19 657.02 o
0 6 0 4280.21 5531.71 839.07 o
2 6 0 4159.75 5220.79 630.01 o
4 6 0 2155.82 2423.39 504.63 o
-33 1 1 136.20 -124.08 342.76 o
-31 1 1 191.35 317.83 403.35 o
-29 1 1 3059.83 3093.14 340.00 o
-27 1 1 2978.93 2707.42 323.93 o
-25 1 1 3209.86 3186.19 312.66 o
-23 1 1 16667.62 15989.60 477.57 o
-21 1 1 992.91 1142.98 255.62 o
-19 1 1 16443.88 15841.55 407.52 o
-17 1 1 34339.61 34155.16 388.74 o
-15 1 1 2331.93 2561.04 193.48 o
-13 1 1 15373.88 15993.49 367.86 o
-11 1 1 4945.40 5064.63 165.62 o
-9 1 1 84917.65 85375.27 2236.38 o
-7 1 1 271077.28 271525.72 6790.49 o
-5 1 1 186555.44 193254.28 4218.92 o
-3 1 1 79653.28 82477.67 2709.44 o
-1 1 1 9914.75 10198.29 227.97 o
1 1 1 49637.23 47239.64 799.22 o
3 1 1 505732.44 478145.72 5233.41 o
5 1 1 768993.63 720300.50 6036.97 o
7 1 1 196757.23 198167.05 3978.75 o
9 1 1 27971.50 27324.59 395.76 o
11 1 1 29500.96 30682.68 730.56 o
13 1 1 130357.71 133119.19 2873.10 o
15 1 1 200631.42 196346.14 4707.36 o
17 1 1 110456.77 109718.41 3723.00 o
19 1 1 19289.77 19185.96 434.81 o
21 1 1 759.72 445.64 251.23 o
23 1 1 2946.50 4100.85 327.75 o
25 1 1 12054.01 11737.92 535.23 o
27 1 1 14035.46 13666.69 507.59 o
29 1 1 3642.39 3693.29 377.39 o
31 1 1 299.73 183.07 343.83 o
-32 2 1 18.08 127.37 500.81 o
-30 2 1 1620.77 1352.19 371.77 o
-28 2 1 3683.80 3439.87 404.41 o
-26 2 1 1181.93 835.32 339.03 o
-24 2 1 131.99 244.65 417.03 o
-22 2 1 262.31 428.75 276.94 o
-20 2 1 6488.11 6607.20 312.55 o
-18 2 1 21078.27 19985.70 390.42 o
-16 2 1 4975.86 5119.76 253.74 o
-14 2 1 6006.86 6709.21 261.85 o
-12 2 1 25078.09 25926.66 404.44 o
-10 2 1 5146.79 5422.84 157.61 o
-8 2 1 822.38 727.42 94.82 o
-6 2 1 1815.08 2259.11 111.82 o
-4 2 1 47525.75 47084.50 1982.60 o
-2 2 1 180063.19 185329.08 5468.87 o
0 2 1 239285.52 244887.03 5757.62 o
2 2 1 117787.80 119469.73 1952.90 o
4 2 1 34894.80 34117.58 606.87 o
6 2 1 48018.13 45734.07 530.73 o
8 2 1 198436.88 198404.30 2271.66 o
10 2 1 259663.44 253709.75 4111.96 o
12 2 1 97957.10 98875.51 1458.18 o
14 2 1 33815.84 32449.27 689.69 o
16 2 1 12641.01 13030.83 493.15 o
18 2 1 22413.40 22587.92 562.71 o
20 2 1 33490.82 32502.62 524.78 o
22 2 1 22235.40 22174.52 761.51 o
24 2 1 4599.35 3911.11 415.65 o
26 2 1 48.63 170.89 490.33 o
28 2 1 66.81 -262.40 396.80 o
30 2 1 125.31 158.89 460.03 o
-29 3 1 4084.89 3823.37 557.94 o
-27 3 1 3965.76 4076.42 551.36 o
-25 3 1 1867.92 1772.89 475.84 o
-23 3 1 946.19 991.54 256.60 o
-21 3 1 2733.53 3137.32 271.63 o
-19 3 1 14147.92 14271.04 425.95 o
-17 3 1 19544.63 18860.13 407.16 o
-15 3 1 13937.36 13948.25 353.50 o
-13 3 1 817.24 897.20 139.77 o
-11 3 1 210.08 197.14 125.49 o
-9 3 1 7008.08 7177.09 361.82 o
-7 3 1 21785.47 20487.39 477.74 o
-5 3 1 15872.36 16394.33 340.15 o
-3 3 1 83.40 11.99 77.50 o
-1 3 1 5427.37 5481.11 165.11 o
1 3 1 1601.88 1606.05 106.04 o
3 3 1 1890.80 1909.68 125.78 o
5 3 1 4992.23 5954.63 192.37 o
7 3 1 102.41 259.58 116.06 o
9 3 1 8321.20 8404.21 230.93 o
11 3 1 3391.13 3663.94 190.14 o
13 3 1 243.05 238.49 167.53 o
15 3 1 498.64 655.39 187.55 o
17 3 1 2193.75 2396.21 229.16 o
19 3 1 38.86 91.28 251.97 o
21 3 1 977.60 979.69 295.60 o
23 3 1 52.52 -233.92 400.27 o
25 3 1 1362.02 1406.69 494.81 o
27 3 1 1341.81 1188.49 521.75 o
-26 4 1 313.32 773.51 1713.44 o
-24 4 1 5597.79 6290.40 406.19 o
-22 4 1 5404.29 5000.34 426.46 o
-20 4 1 601.79 418.36 317.70 o
-18 4 1 548.01 -104.59 294.42 o
-16 4 1 158.90 210.12 291.81 o
-14 4 1 11180.35 11720.66 493.74 o
-12 4 1 30502.38 30537.58 493.51 o
-10 4 1 19090.36 18923.94 339.63 o
-8 4 1 767.34 760.45 155.94 o
-6 4 1 505.27 370.64 124.64 o
-4 4 1 12370.69 12548.42 276.53 o
-2 4 1 50726.64 48282.41 1044.05 o
0 4 1 68754.60 65999.11 2116.60 o
2 4 1 23597.10 24124.81 443.43 o
4 4 1 1072.34 1264.14 192.50 o
6 4 1 5545.81 5599.19 212.17 o
8 4 1 35750.84 34880.54 1233.10 o
10 4 1 46896.67 45729.11 1153.64 o
12 4 1 28615.72 28289.98 727.63 o
14 4 1 4206.93 4811.88 734.77 o
16 4 1 844.37 794.54 290.47 o
18 4 1 3548.25 3308.03 361.13 o
20 4 1 11227.09 10707.61 529.26 o
22 4 1 9376.59 9154.14 547.84 o
24 4 1 2093.26 2129.39 558.58 o
-19 5 1 309.51 207.22 348.15 o
-17 5 1 283.58 269.52 444.60 o
-15 5 1 514.12 811.61 364.56 o
-13 5 1 512.41 461.30 342.78 o
-11 5 1 53.50 95.65 309.28 o
-9 5 1 128.19 189.89 270.92 o
-7 5 1 953.44 1528.97 252.80 o
-5 5 1 2461.36 2759.69 336.24 o
-3 5 1 2101.87 2483.89 341.88 o
-1 5 1 2805.55 3090.15 270.48 o
1 5 1 5163.43 5151.74 319.73 o
3 5 1 8122.45 9511.86 815.37 o
5 5 1 8663.59 8774.64 436.13 o
7 5 1 9927.27 9352.54 604.89 o
9 5 1 5439.82 5078.09 632.37 o
11 5 1 4279.74 4347.41 418.71 o
13 5 1 5272.34 5093.22 459.72 o
15 5 1 4344.33 5420.33 606.06 o
17 5 1 2747.16 2251.03 544.32 o
-6 6 1 44.88 -458.64 458.64 o
-4 6 1 511.38 257.19 611.91 o
-2 6 1 2005.36 1938.61 411.38 o
0 6 1 2444.82 3115.23 513.13 o
2 6 1 72.84 41.10 389.94 o
4 6 1 1103.70 769.97 416.83 o
-34 0 2 7873.04 8737.56 897.39 o
-32 0 2 108.92 13.30 522.88 o
-30 0 2 60.32 -193.39 488.09 o
-28 0 2 425.26 330.03 306.22 o
-26 0 2 1094.49 1435.09 861.58 o
-24 0 2 23035.61 22856.76 679.44 o
-22 0 2 2971.50 3101.17 318.60 o
-20 0 2 17576.17 15721.66 586.32 o
-18 0 2 41053.18 39915.34 891.25 o
-16 0 2 5171.88 4556.43 351.73 o
-14 0 2 22635.03 22200.71 812.46 o
-12 0 2 31540.15 31479.03 702.46 o
-10 0 2 15504.55 16760.57 1130.18 o
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-6 0 2 14673.48 17457.82 407.34 o
-4 0 2 145651.42 142232.66 3322.40 o
-2 0 2 107120.53 112031.09 576.32 o
0 0 2 89642.85 93330.32 1813.21 o
2 0 2 45296.88 44322.21 1069.41 o
4 0 2 13161.82 13931.97 369.34 o
6 0 2 148592.14 141775.28 3071.09 o
8 0 2 323074.13 296938.19 2712.13 o
10 0 2 406384.34 397453.66 3390.44 o
12 0 2 135168.13 135741.31 2279.77 o
14 0 2 12027.47 11861.06 301.59 o
16 0 2 40151.37 41593.95 1784.04 o
18 0 2 122874.14 120609.22 3491.85 o
20 0 2 124919.89 127310.95 2302.32 o
22 0 2 62696.62 61357.85 983.35 o
24 0 2 10681.03 11062.30 528.55 o
26 0 2 2916.54 3013.48 574.05 o
28 0 2 6213.52 7322.40 793.02 o
30 0 2 9990.95 10977.46 910.70 o
-33 1 2 436.09 585.83 343.19 o
-31 1 2 166.99 608.86 353.82 o
-29 1 2 2150.21 2189.07 322.68 o
-27 1 2 283.04 4.33 268.86 o
-25 1 2 609.02 193.79 341.91 o
-23 1 2 1093.53 696.76 255.07 o
-21 1 2 3677.81 3616.94 250.39 o
-19 1 2 184.67 100.54 143.85 o
-17 1 2 596.70 880.89 139.15 o
-15 1 2 14221.24 14371.55 253.80 o
-13 1 2 28005.55 29365.32 625.24 o
-11 1 2 8153.06 8476.29 159.30 o
-9 1 2 658.94 710.96 71.07 o
-7 1 2 136.49 312.03 64.89 o
-5 1 2 4868.44 5274.06 190.20 o
-3 1 2 6945.17 7654.98 175.33 o
-1 1 2 6097.79 6768.05 82.20 o
1 1 2 54014.18 54126.19 750.82 o
3 1 2 5334.12 5338.77 137.29 o
5 1 2 43837.98 44920.21 418.35 o
7 1 2 37988.45 39133.59 355.72 o
9 1 2 222.53 344.76 91.22 o
11 1 2 28799.67 29089.40 463.57 o
13 1 2 48810.45 49793.45 933.53 o
15 1 2 44639.59 45251.98 1683.29 o
17 1 2 26014.14 25856.37 973.71 o
19 1 2 6502.77 6435.92 622.41 o
21 1 2 4779.42 4680.34 363.95 o
23 1 2 9985.36 10572.02 455.83 o
25 1 2 8231.09 9589.93 470.95 o
27 1 2 4353.81 4464.70 377.44 o
29 1 2 737.22 368.00 333.89 o
31 1 2 416.06 330.89 362.97 o
-32 2 2 557.22 131.91 372.89 o
-30 2 2 138.06 -89.06 408.56 o
-28 2 2 65.60 -179.68 323.00 o
-26 2 2 7095.25 6612.81 455.69 o
-24 2 2 10593.49 10340.69 480.31 o
-22 2 2 10646.91 10131.09 364.47 o
-20 2 2 404.86 305.85 188.30 o
-18 2 2 3706.26 3866.21 231.87 o
-16 2 2 5278.75 5458.18 359.34 o
-14 2 2 46114.45 45612.34 762.41 o
-12 2 2 48201.55 49637.47 973.78 o
-10 2 2 5884.59 5811.16 178.58 o
-8 2 2 5988.49 6311.47 168.19 o
-6 2 2 371.89 434.15 80.94 o
-4 2 2 46631.04 47209.94 1149.28 o
-2 2 2 135877.70 138651.20 2118.37 o
0 2 2 52506.98 50535.57 772.25 o
2 2 2 2024.68 2328.08 102.45 o
4 2 2 1025.45 1280.67 95.70 o
6 2 2 1537.38 1724.68 129.90 o
8 2 2 107079.89 106657.21 1573.31 o
10 2 2 91963.77 90413.69 1326.24 o
12 2 2 8995.29 8823.02 252.69 o
14 2 2 706.89 826.64 163.78 o
16 2 2 1537.98 1555.28 199.32 o
18 2 2 13745.88 13092.40 381.35 o
20 2 2 25206.07 24712.81 607.26 o
22 2 2 11331.08 10995.26 963.91 o
24 2 2 1055.98 532.00 400.15 o
26 2 2 41.90 -108.15 397.79 o
28 2 2 653.83 785.43 446.41 o
-29 3 2 2333.37 2377.91 519.81 o
-27 3 2 1116.73 1347.28 464.67 o
-25 3 2 673.11 1065.34 346.96 o
-23 3 2 2439.12 2208.49 273.33 o
-21 3 2 596.73 827.55 227.49 o
-19 3 2 6049.43 6307.94 405.89 o
-17 3 2 3399.33 3701.67 260.82 o
-15 3 2 5219.45 5645.69 280.30 o
-13 3 2 19650.05 19630.01 472.56 o
-11 3 2 4303.10 4384.79 216.20 o
-9 3 2 11763.11 12783.07 356.85 o
-7 3 2 27362.29 27698.03 737.40 o
-5 3 2 2639.69 2791.51 124.34 o
-3 3 2 4968.61 5107.42 215.52 o
-1 3 2 300.16 312.04 72.23 o
1 3 2 14597.46 13664.63 396.04 o
3 3 2 85984.91 86007.20 741.71 o
5 3 2 80566.54 77381.94 1172.71 o
7 3 2 22894.61 21733.73 447.25 o
9 3 2 6255.05 5700.99 208.96 o
11 3 2 13721.88 13444.75 273.27 o
13 3 2 74086.68 72050.41 731.82 o
15 3 2 75694.20 74290.16 2195.51 o
17 3 2 30789.64 31024.24 852.77 o
19 3 2 8551.29 8514.31 441.42 o
21 3 2 4532.65 4559.92 367.95 o
23 3 2 10110.46 9796.44 678.37 o
25 3 2 14535.81 14406.83 804.28 o
27 3 2 7697.16 8104.94 684.06 o
-26 4 2 681.96 434.38 538.50 o
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-22 4 2 2663.08 2637.75 331.51 o
-20 4 2 2442.16 2356.78 364.27 o
-18 4 2 3466.48 3775.79 511.31 o
-16 4 2 8330.95 8046.11 353.03 o
-14 4 2 13294.89 13453.47 389.11 o
-12 4 2 14144.20 14044.01 418.23 o
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-4 4 2 7381.26 7417.60 259.60 o
-2 4 2 7779.79 8176.65 379.23 o
0 4 2 2952.53 3451.60 368.69 o
2 4 2 2.04 -100.24 136.20 o
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10 4 2 699.44 785.77 277.36 o
12 4 2 5331.02 4693.34 376.88 o
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16 4 2 3279.87 3903.89 365.66 o
18 4 2 3970.21 4186.39 384.60 o
20 4 2 2060.38 1955.32 422.28 o
22 4 2 810.57 840.07 373.63 o
-19 5 2 12012.34 11726.26 550.32 o
-17 5 2 8284.38 8318.79 657.46 o
-15 5 2 2640.00 2443.18 356.13 o
-13 5 2 631.13 569.65 354.91 o
-11 5 2 3016.13 3326.03 396.65 o
-9 5 2 16987.08 18364.04 505.46 o
-7 5 2 27233.69 27151.76 817.31 o
-5 5 2 10961.48 10680.33 736.81 o
-3 5 2 817.84 808.51 234.67 o
-1 5 2 475.68 465.35 247.69 o
1 5 2 5795.71 6119.29 389.28 o
3 5 2 18593.97 17899.46 515.08 o
5 5 2 16957.96 17030.67 517.43 o
7 5 2 994.62 1218.52 292.60 o
9 5 2 441.72 249.71 321.64 o
11 5 2 469.07 -85.26 336.80 o
13 5 2 3810.68 3677.47 435.45 o
15 5 2 5799.23 5362.50 473.53 o
17 5 2 1472.06 1674.81 418.26 o
-6 6 2 48.29 -96.33 383.94 o
-4 6 2 348.08 687.08 376.82 o
-2 6 2 2171.62 2377.96 424.70 o
0 6 2 1711.32 1240.42 923.49 o
2 6 2 198.12 769.00 494.63 o
-35 1 3 583.92 384.11 361.38 o
-33 1 3 7421.46 7738.61 512.21 o
-31 1 3 25071.70 24342.72 778.67 o
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-27 1 3 2838.90 3230.60 323.73 o
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-23 1 3 4534.43 4643.05 404.82 o
-21 1 3 32488.86 31625.35 383.70 o
-19 1 3 65073.76 63997.94 918.51 o
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1 1 21 4603.19 5273.49 421.37 o
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1 1 22 653.20 536.85 325.82 o
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