#------------------------------------------------------------------------------
#$Date: 2016-04-02 21:39:39 +0300 (Sat, 02 Apr 2016) $
#$Revision: 180796 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/27/2012737.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_2012737_Fobs
loop_
_publ_author_name
'Dridi, Nezha'
'Arbib, E.'
'Boukhari, Ali'
'Holt, Elizabeth M.'
_publ_section_title
;
 Dilithium barium diphosphate
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              i74
_journal_page_last               i75
_journal_volume                  58
_journal_year                    2002
_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                 90.490
_cell_angle_gamma                90.000
_cell_length_a                   7.1470
_cell_length_b                   12.2830
_cell_length_c                   14.0160
_exptl_crystal_F_000             1184.00
_reflns_d_resolution_high        0.7066
_cod_data_source_file            br1355Isup2.hkl
_cod_data_source_block           I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' c:\xscans\DRIDJ13 in     C2/c'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            571.70
_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 159964.70 167487.08 664.01 o
4 0 0 693.31 914.32 47.78 o
6 0 0 34966.88 32666.81 541.11 o
8 0 0 30088.13 29273.39 640.96 o
10 0 0 9398.57 9204.99 278.69 o
1 1 0 9177.82 13139.57 946.83 o
3 1 0 93031.23 95603.80 2666.47 o
5 1 0 32984.84 30479.88 1096.81 o
7 1 0 38.04 188.54 34.09 o
9 1 0 6543.68 6319.39 133.27 o
0 2 0 125146.18 96786.58 36639.20 o
2 2 0 87116.62 103113.68 11438.99 o
4 2 0 6442.88 6203.09 220.74 o
6 2 0 25333.80 24087.46 618.42 o
8 2 0 27924.84 25019.43 418.24 o
1 3 0 20311.51 25398.42 6606.54 o
3 3 0 53786.17 56915.59 6715.11 o
5 3 0 62099.14 60167.65 507.88 o
7 3 0 2395.50 2061.19 121.08 o
9 3 0 2991.74 3188.45 88.40 o
2 4 0 5380.74 7968.73 2558.04 o
4 4 0 6324.99 7728.58 1108.41 o
6 4 0 7949.08 7712.92 305.69 o
8 4 0 10821.50 10036.25 283.48 o
1 5 0 173.82 176.56 25.93 o
3 5 0 42918.18 48598.66 7757.31 o
5 5 0 42727.78 40792.95 2960.50 o
7 5 0 1642.82 1828.30 67.77 o
9 5 0 3816.49 4414.70 115.99 o
2 6 0 5137.36 4435.71 187.76 o
4 6 0 1217.49 1333.07 191.58 o
6 6 0 1625.27 1678.30 156.47 o
8 6 0 2099.94 1836.19 219.85 o
3 7 0 10758.87 9665.77 310.66 o
5 7 0 1528.29 2049.17 491.85 o
7 7 0 25.19 41.23 37.62 o
9 7 0 2113.79 2166.21 113.78 o
2 8 0 23241.35 18198.71 421.52 o
4 8 0 356.45 397.40 51.28 o
6 8 0 77.96 161.57 34.89 o
8 8 0 1444.02 1965.96 148.31 o
3 9 0 1390.14 1323.74 69.64 o
5 9 0 52.98 187.04 41.66 o
7 9 0 1145.98 1306.71 63.31 o
4 10 0 1494.28 1423.09 79.84 o
6 10 0 618.85 579.21 67.89 o
8 10 0 363.88 351.36 100.52 o
3 11 0 843.00 867.39 67.01 o
5 11 0 2401.82 2116.98 105.48 o
7 11 0 879.47 1039.28 84.20 o
4 12 0 83.83 32.05 48.07 o
6 12 0 191.84 212.68 74.00 o
5 13 0 510.67 579.50 69.63 o
4 14 0 986.00 837.08 85.95 o
-9 1 1 519.07 508.53 48.80 o
-7 1 1 458.88 475.13 39.74 o
-5 1 1 44.59 310.99 104.30 o
-3 1 1 9010.50 9928.75 229.08 o
-1 1 1 2111.04 3716.89 83.43 o
1 1 1 3161.42 5207.12 244.87 o
3 1 1 670.70 822.38 29.15 o
5 1 1 12.32 79.21 41.81 o
7 1 1 3479.18 3341.48 79.03 o
9 1 1 453.64 461.16 77.06 o
-8 2 1 12722.34 11912.79 297.87 o
-6 2 1 17372.09 16419.73 286.69 o
-4 2 1 1072.01 1311.27 82.90 o
-2 2 1 9248.65 11484.13 910.40 o
0 2 1 6160.10 5655.06 687.07 o
2 2 1 10225.61 12806.04 1059.11 o
4 2 1 13408.83 12631.96 206.27 o
6 2 1 13219.74 12420.51 245.45 o
8 2 1 89.50 97.32 41.23 o
-9 3 1 123.19 128.61 42.48 o
-7 3 1 2915.68 2708.42 97.48 o
-5 3 1 10993.33 10233.37 416.83 o
-3 3 1 4929.43 5768.26 669.02 o
-1 3 1 1972.14 2595.84 620.02 o
1 3 1 9823.71 12693.52 2095.06 o
3 3 1 7716.24 8533.75 829.32 o
5 3 1 3541.99 3528.13 83.83 o
7 3 1 249.84 350.71 39.89 o
9 3 1 672.30 721.45 59.00 o
-8 4 1 10041.86 9360.28 313.86 o
-6 4 1 171.74 328.12 33.94 o
-4 4 1 12153.18 12438.84 1108.03 o
-2 4 1 90956.10 109819.33 24749.45 o
2 4 1 379.39 664.73 35.11 o
4 4 1 25745.98 26883.70 2315.63 o
6 4 1 18886.35 17282.39 315.19 o
8 4 1 5028.04 4820.99 114.06 o
-9 5 1 285.17 407.32 133.87 o
-7 5 1 6847.45 6559.16 393.67 o
-5 5 1 17898.37 18287.38 1602.20 o
-3 5 1 8626.46 9151.84 1660.12 o
-1 5 1 1844.73 1437.67 60.04 o
1 5 1 73863.66 57964.61 551.19 o
3 5 1 17492.76 20460.60 3509.95 o
5 5 1 99.35 633.01 347.14 o
7 5 1 6120.74 6295.92 181.89 o
9 5 1 11038.55 10528.01 507.02 o
-8 6 1 2163.53 2078.57 129.81 o
-6 6 1 2018.56 1892.85 135.93 o
-4 6 1 46191.52 52383.55 8671.40 o
-2 6 1 47174.26 34810.12 511.18 o
2 6 1 5854.77 5410.30 205.57 o
4 6 1 15729.10 17749.44 2200.91 o
6 6 1 24970.64 23937.81 373.56 o
8 6 1 3040.20 2768.94 105.49 o
-9 7 1 188.11 563.32 83.47 o
-7 7 1 21943.89 22064.84 928.15 o
-5 7 1 27090.59 30016.01 3091.63 o
-3 7 1 10701.90 10513.04 315.32 o
3 7 1 57145.62 51685.88 686.45 o
5 7 1 330.12 461.99 146.99 o
7 7 1 12899.43 11995.09 541.84 o
9 7 1 17141.85 17984.04 784.29 o
-8 8 1 5481.80 5435.00 136.46 o
-6 8 1 82.75 164.67 110.42 o
-4 8 1 8381.84 7115.30 306.15 o
-2 8 1 16256.01 13421.80 368.06 o
2 8 1 1964.33 1816.92 73.14 o
4 8 1 13316.88 11779.04 368.72 o
6 8 1 16647.27 16564.11 497.39 o
8 8 1 1346.88 1347.45 73.50 o
-7 9 1 17886.46 17927.27 387.22 o
-5 9 1 31043.51 29300.34 608.42 o
-3 9 1 9701.40 7758.44 305.90 o
3 9 1 39474.00 32615.67 615.32 o
5 9 1 3034.19 3207.31 129.39 o
7 9 1 3156.61 3226.34 93.72 o
-8 10 1 15338.68 16038.88 587.64 o
-6 10 1 4872.33 5133.24 164.38 o
-4 10 1 7024.56 7345.30 216.01 o
4 10 1 24638.61 23622.94 560.83 o
6 10 1 16722.22 16994.43 483.93 o
8 10 1 1502.65 1728.44 80.14 o
-7 11 1 6175.04 6281.30 168.17 o
-3 11 1 6176.89 5296.73 199.96 o
3 11 1 9581.21 7645.16 368.85 o
5 11 1 2034.18 2191.81 103.73 o
7 11 1 747.32 772.97 85.08 o
-6 12 1 352.31 702.44 76.62 o
4 12 1 11522.19 11375.45 452.85 o
6 12 1 18574.44 20208.30 564.17 o
-5 13 1 2682.87 3018.57 126.47 o
5 13 1 21.39 127.90 51.57 o
4 14 1 4669.51 5495.02 172.24 o
-10 0 2 13614.48 13401.21 336.50 o
-8 0 2 43.73 581.23 70.21 o
-6 0 2 33389.09 28803.65 505.35 o
-4 0 2 117484.42 112389.07 773.30 o
-2 0 2 172182.72 172013.38 718.28 o
0 0 2 121.23 825.09 3859.66 o
2 0 2 152489.06 159913.41 687.62 o
4 0 2 89581.93 86658.04 703.41 o
6 0 2 50349.98 46862.07 629.71 o
8 0 2 550.19 934.66 71.96 o
-9 1 2 5090.92 4591.44 122.55 o
-7 1 2 26677.55 23254.05 359.76 o
-5 1 2 14991.30 13305.87 279.14 o
-3 1 2 8017.13 8129.41 147.19 o
-1 1 2 17229.22 25471.30 1331.93 o
1 1 2 13277.62 19041.17 1086.76 o
3 1 2 10424.11 11309.51 258.45 o
5 1 2 10502.02 9773.21 290.37 o
7 1 2 26652.05 23388.90 363.56 o
9 1 2 8029.16 7072.32 156.39 o
-8 2 2 900.53 1006.65 82.60 o
-6 2 2 17152.61 16556.72 273.27 o
-4 2 2 71817.14 65670.58 3770.89 o
-2 2 2 56692.75 68926.03 4271.53 o
0 2 2 485.56 1194.41 222.70 o
2 2 2 71402.20 85506.42 12073.01 o
4 2 2 80834.55 77392.82 3464.69 o
6 2 2 11690.85 10577.21 256.96 o
8 2 2 921.77 1110.70 284.22 o
-9 3 2 11713.15 11242.03 435.03 o
-7 3 2 25880.05 23992.87 1346.53 o
-5 3 2 5023.96 4800.28 533.59 o
-3 3 2 32298.99 34646.31 4475.92 o
-1 3 2 176630.94 180503.39 53161.02 o
1 3 2 170092.28 216937.77 39617.36 o
3 3 2 15116.36 17774.18 1345.83 o
5 3 2 14002.43 13758.66 379.46 o
7 3 2 31400.46 29251.33 403.91 o
9 3 2 7781.83 7452.09 171.89 o
-8 4 2 9.70 138.16 115.95 o
-6 4 2 1633.04 1290.80 126.75 o
-4 4 2 7393.69 7866.27 879.19 o
-2 4 2 35027.49 42820.20 8709.17 o
2 4 2 56071.77 70932.78 16363.83 o
4 4 2 9137.06 9348.06 849.04 o
6 4 2 60.90 967.45 592.16 o
8 4 2 3115.78 3016.23 83.68 o
-9 5 2 8799.51 9046.28 388.73 o
-7 5 2 22826.81 21344.14 920.41 o
-5 5 2 6895.18 6544.45 849.99 o
-3 5 2 26277.57 31169.99 5447.57 o
1 5 2 99049.46 78806.20 654.93 o
3 5 2 14596.82 18441.44 3089.98 o
5 5 2 20021.92 19416.70 1729.93 o
7 5 2 24005.77 23385.07 395.12 o
9 5 2 3585.01 3798.64 286.60 o
-8 6 2 126.56 89.12 40.88 o
-6 6 2 4578.30 4203.63 352.52 o
-4 6 2 9537.14 11034.26 2120.52 o
-2 6 2 9598.21 8132.78 251.18 o
2 6 2 10396.64 9446.56 258.21 o
4 6 2 8473.15 9300.93 1309.31 o
6 6 2 1513.51 1562.45 108.25 o
8 6 2 1.73 162.71 41.52 o
-9 7 2 1363.73 1202.94 66.20 o
-7 7 2 5439.48 5269.56 127.75 o
-5 7 2 3696.12 4043.08 736.76 o
-3 7 2 272.17 227.84 46.03 o
3 7 2 226.67 210.94 41.95 o
5 7 2 2956.39 3345.89 329.45 o
7 7 2 4866.15 4294.55 109.81 o
9 7 2 1694.91 1590.14 172.93 o
-8 8 2 377.41 402.45 52.12 o
-6 8 2 2918.31 3077.19 248.43 o
-4 8 2 8235.51 6446.30 201.77 o
-2 8 2 6248.72 5123.34 229.16 o
2 8 2 4181.86 3867.33 190.92 o
4 8 2 6303.24 4843.53 252.16 o
6 8 2 6104.72 6224.19 355.61 o
8 8 2 1933.30 1783.29 75.96 o
-7 9 2 130.83 203.95 53.90 o
-5 9 2 3.19 30.30 37.29 o
-3 9 2 21.88 130.23 46.32 o
3 9 2 92.04 82.74 37.58 o
5 9 2 833.81 786.68 62.93 o
7 9 2 38.50 64.98 48.36 o
-8 10 2 423.17 456.13 89.15 o
-6 10 2 0.18 -19.81 37.58 o
-4 10 2 9.14 27.97 39.62 o
4 10 2 99.50 130.52 43.41 o
6 10 2 168.17 243.56 62.35 o
8 10 2 8.15 40.56 36.39 o
-7 11 2 3613.66 3800.30 124.72 o
-5 11 2 2910.66 2853.44 127.93 o
-3 11 2 19.61 19.81 37.87 o
3 11 2 372.79 307.08 53.03 o
5 11 2 3536.11 3319.84 123.85 o
7 11 2 3456.97 3669.71 138.71 o
-6 12 2 2194.13 2503.00 119.76 o
4 12 2 4914.82 5246.68 167.58 o
6 12 2 2812.31 3297.75 124.72 o
-5 13 2 512.17 492.97 78.96 o
5 13 2 378.47 438.19 72.84 o
4 14 2 7923.67 9771.97 228.24 o
-9 1 3 160.59 125.98 60.31 o
-7 1 3 5249.20 4769.73 107.21 o
-5 1 3 5015.27 4467.61 150.85 o
-3 1 3 6090.48 6782.60 144.13 o
-1 1 3 7115.34 10739.61 702.77 o
1 1 3 7893.12 12986.72 1054.85 o
3 1 3 213.37 303.28 88.57 o
5 1 3 1948.57 2202.43 56.73 o
7 1 3 1576.28 1505.75 53.90 o
9 1 3 763.39 763.95 58.85 o
-8 2 3 276.61 468.59 119.89 o
-6 2 3 9577.35 9811.96 231.94 o
-4 2 3 244.06 313.17 87.55 o
-2 2 3 3903.10 5364.39 361.26 o
0 2 3 11017.92 11619.34 2673.55 o
2 2 3 11559.14 14584.04 1643.95 o
4 2 3 7882.07 8161.77 436.73 o
6 2 3 4555.70 4711.59 107.63 o
8 2 3 9820.46 9990.64 275.73 o
-9 3 3 313.77 406.30 47.90 o
-7 3 3 930.62 874.65 53.77 o
-5 3 3 11216.48 10559.95 395.09 o
-3 3 3 17065.30 19210.81 1677.18 o
-1 3 3 5548.40 6036.22 2119.66 o
1 3 3 10063.33 13097.93 1095.13 o
3 3 3 2202.61 3108.09 288.67 o
5 3 3 4294.22 4366.72 144.78 o
7 3 3 2172.76 2119.81 79.40 o
9 3 3 602.36 599.85 55.47 o
-8 4 3 6559.63 6322.65 141.56 o
-6 4 3 17880.75 16776.44 310.56 o
-4 4 3 20139.09 22702.13 1136.46 o
-2 4 3 707.07 1230.92 240.09 o
2 4 3 49190.75 60975.38 8525.59 o
4 4 3 9942.07 10320.14 1114.23 o
6 4 3 532.34 709.04 163.16 o
8 4 3 9403.93 8848.02 731.91 o
-9 5 3 10831.50 11105.80 262.40 o
-7 5 3 10471.14 9391.03 268.16 o
-5 5 3 393.98 436.97 85.66 o
-3 5 3 6295.47 7003.58 1232.07 o
1 5 3 885.28 1043.16 45.16 o
3 5 3 27035.40 33016.25 4922.81 o
5 5 3 20046.30 19904.54 998.34 o
7 5 3 6981.23 6950.76 215.27 o
9 5 3 15.33 36.32 30.99 o
-8 6 3 3287.90 3369.86 90.20 o
-6 6 3 29522.04 29668.03 417.76 o
-4 6 3 24580.75 25011.78 3282.88 o
-2 6 3 19.64 57.10 38.75 o
2 6 3 48284.85 42731.05 556.21 o
4 6 3 18314.88 20177.26 1841.62 o
6 6 3 295.71 272.98 33.60 o
8 6 3 4447.38 3966.79 367.93 o
-9 7 3 20722.25 20027.12 458.22 o
-7 7 3 11224.35 11000.18 712.49 o
-5 7 3 25.19 307.80 165.48 o
-3 7 3 52629.73 40829.81 649.92 o
3 7 3 42150.64 35444.20 589.76 o
5 7 3 49212.62 50076.52 3993.83 o
7 7 3 15838.10 15150.48 708.07 o
9 7 3 21.46 236.37 160.68 o
-8 8 3 2235.88 2228.28 78.05 o
-6 8 3 12972.96 13478.43 695.85 o
-4 8 3 12488.60 11288.94 380.06 o
-2 8 3 66.50 165.19 41.08 o
2 8 3 28987.71 25938.58 496.85 o
4 8 3 7728.66 8261.99 311.96 o
6 8 3 1511.43 1408.47 62.32 o
8 8 3 7509.74 6915.38 523.37 o
-7 9 3 942.27 973.46 80.85 o
-5 9 3 12295.19 11012.66 384.08 o
3 9 3 10587.11 9104.79 335.09 o
5 9 3 27742.74 27121.66 616.99 o
7 9 3 16553.01 15741.68 1536.43 o
-8 10 3 2012.93 2405.06 84.67 o
4 10 3 8848.28 8472.31 369.11 o
6 10 3 3108.22 3648.13 131.13 o
8 10 3 14313.01 14414.42 3201.01 o
-7 11 3 24.13 2.04 51.57 o
-5 11 3 4451.47 4412.37 135.23 o
3 11 3 1247.87 1335.36 82.75 o
5 11 3 7632.67 7837.74 240.49 o
7 11 3 5594.10 6009.11 176.04 o
-6 12 3 17952.32 18699.17 549.56 o
4 12 3 10914.21 11149.13 449.32 o
6 12 3 318.59 485.39 79.54 o
-5 13 3 182.36 163.44 70.51 o
5 13 3 3006.76 3415.52 131.13 o
-8 0 4 43586.24 38984.56 746.50 o
-6 0 4 23202.02 22017.60 448.76 o
-4 0 4 289.18 467.33 50.99 o
-2 0 4 60916.91 61115.59 487.09 o
0 0 4 326837.13 288858.63 7606.35 o
2 0 4 32021.93 31863.80 347.41 o
4 0 4 11037.71 10956.15 270.75 o
6 0 4 40683.22 40474.66 650.97 o
8 0 4 30083.00 28589.21 645.89 o
-9 1 4 4842.16 4682.33 108.71 o
-7 1 4 918.25 888.82 92.95 o
-5 1 4 19829.71 17755.97 1053.83 o
-3 1 4 25347.62 23151.44 707.24 o
-1 1 4 198.98 974.36 167.97 o
1 1 4 3034.66 3754.49 88.20 o
3 1 4 52826.10 56126.29 1381.02 o
5 1 4 15004.39 14288.45 502.64 o
7 1 4 1710.63 1513.79 51.38 o
9 1 4 11873.52 10803.92 382.40 o
-8 2 4 23808.37 21389.76 653.46 o
-6 2 4 21897.17 18767.20 712.74 o
-4 2 4 113.19 228.46 26.26 o
-2 2 4 54192.68 68667.05 5022.35 o
0 2 4 132093.39 131323.38 39554.51 o
2 2 4 40774.42 50403.02 5953.96 o
4 2 4 4834.77 4764.84 249.83 o
6 2 4 33273.42 29354.25 385.12 o
8 2 4 20803.48 19161.14 868.07 o
-9 3 4 994.31 1075.06 62.04 o
-7 3 4 3680.57 3510.36 141.34 o
-5 3 4 82164.81 76264.98 2431.48 o
-3 3 4 79280.93 82033.30 13104.07 o
-1 3 4 26119.55 25556.61 11012.39 o
1 3 4 43565.15 54871.82 819.20 o
3 3 4 68362.80 79533.93 8099.19 o
5 3 4 71291.60 64831.31 2699.00 o
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-8 4 4 5183.57 4981.30 117.03 o
-6 4 4 2599.24 2829.35 123.56 o
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-2 4 4 27182.44 30379.64 5335.39 o
2 4 4 9465.00 10736.16 1801.80 o
4 4 4 2845.64 2973.57 604.29 o
6 4 4 2816.86 2700.24 124.58 o
8 4 4 12874.17 11409.42 362.62 o
-9 5 4 3582.72 3798.70 106.92 o
-7 5 4 2355.07 2300.23 69.75 o
-5 5 4 44695.82 45189.01 3863.21 o
-3 5 4 82849.05 89520.34 14559.02 o
-1 5 4 1002.23 444.36 37.01 o
1 5 4 4158.56 3493.97 153.64 o
3 5 4 75047.88 82066.27 13410.97 o
5 5 4 40424.62 39816.85 2220.11 o
7 5 4 3149.93 2695.90 144.98 o
9 5 4 2809.24 3037.72 366.14 o
-8 6 4 1380.34 1443.14 142.33 o
-6 6 4 4408.87 4375.64 262.74 o
-4 6 4 921.92 918.12 41.28 o
-2 6 4 972.54 875.59 58.57 o
2 6 4 1272.11 998.30 49.24 o
4 6 4 922.63 1013.58 217.65 o
6 6 4 3363.68 3246.34 267.09 o
8 6 4 1945.06 1960.31 70.66 o
-9 7 4 1676.08 1958.03 104.31 o
-7 7 4 222.14 239.32 69.49 o
-5 7 4 683.13 1211.46 410.53 o
-3 7 4 1474.50 1226.74 73.14 o
3 7 4 2869.53 3110.44 116.86 o
5 7 4 906.14 801.25 44.12 o
7 7 4 919.51 814.63 72.69 o
-8 8 4 4190.43 4258.64 97.12 o
-6 8 4 126.98 190.49 36.93 o
-4 8 4 300.13 197.24 54.48 o
-2 8 4 5973.78 3643.80 148.97 o
2 8 4 6978.63 6302.03 263.57 o
4 8 4 1014.26 860.99 56.82 o
6 8 4 538.00 652.92 48.52 o
8 8 4 1587.18 1561.78 203.96 o
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