#------------------------------------------------------------------------------
#$Date: 2021-09-25 05:15:31 +0300 (Sat, 25 Sep 2021) $
#$Revision: 269310 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/1/56/47/1564724.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_1564724
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_length_a                   7.6009
_cell_length_b                   7.6009
_cell_length_c                   7.8187
_exptl_crystal_F_000             431.02
_reflns_d_resolution_high        0.6997
_cod_data_source_file            wm4153Isup2.hkl
_cod_data_source_block           I
_shelx_title                     ' 210803sg194_a.res in P6(3)/mmc'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            184.70
_shelx_f_squared_multiplier      1.000
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'-x, -y, z+1/2'
'y, -x+y, z+1/2'
'x-y, x, z+1/2'
'y, x, -z'
'x-y, -y, -z'
'-x, -x+y, -z'
'-y, -x, -z+1/2'
'-x+y, y, -z+1/2'
'x, x-y, -z+1/2'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'x, y, -z-1/2'
'-y, x-y, -z-1/2'
'-x+y, -x, -z-1/2'
'-y, -x, z'
'-x+y, y, z'
'x, x-y, z'
'y, x, z-1/2'
'x-y, -y, z-1/2'
'-x, -x+y, 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
0 1 0 2707.23 2754.60 16.66 o
-1 2 0 143.06 147.79 2.11 o
0 2 0 1191.56 1234.11 8.38 o
-1 3 0 198.12 201.01 2.11 o
0 3 0 8085.51 7841.23 46.26 o
-2 4 0 15865.04 15516.28 88.03 o
-1 4 0 0.77 3.84 1.51 o
0 4 0 383.31 382.48 5.56 o
-2 5 0 518.36 502.03 4.62 o
-1 5 0 424.93 438.03 5.09 o
0 5 0 974.26 1010.21 13.60 o
-3 6 0 25298.65 24797.62 159.37 o
-2 6 0 312.29 318.06 5.28 o
-1 6 0 3.34 2.23 3.50 o
0 6 0 382.38 413.35 10.65 o
-3 7 0 1551.14 1555.81 12.80 o
-2 7 0 1355.77 1343.51 11.96 o
-1 7 0 330.87 339.06 7.51 o
0 7 0 31.28 32.06 8.87 o
-4 8 0 421.17 407.37 15.76 o
-3 8 0 335.41 347.64 10.12 o
-2 8 0 9.64 12.80 6.56 o
-1 8 0 5482.73 5485.86 41.11 o
0 8 0 444.24 486.42 18.18 o
-4 9 0 213.81 229.41 10.03 o
-3 9 0 458.12 474.14 13.34 o
-2 9 0 645.71 651.47 16.08 o
-1 9 0 422.67 413.16 13.33 o
0 9 0 2009.85 2034.77 40.81 o
-5 10 0 9364.55 9336.21 108.47 o
-4 10 0 78.13 64.97 12.58 o
-3 10 0 143.49 142.82 14.22 o
-2 10 0 362.15 363.03 16.64 o
0 1 1 6.65 8.81 0.51 o
0 2 1 3508.24 3704.53 15.06 o
-1 3 1 162.00 161.78 1.40 o
0 3 1 24530.06 22789.23 93.46 o
-1 4 1 1753.30 1739.96 6.31 o
0 4 1 2.05 4.76 1.70 o
-2 5 1 3.33 6.71 1.47 o
-1 5 1 2594.66 2603.69 10.55 o
0 5 1 329.30 311.09 4.63 o
-2 6 1 48.69 53.77 2.21 o
-1 6 1 1376.95 1375.57 8.19 o
0 6 1 6526.06 6601.51 40.25 o
-3 7 1 12.11 10.94 2.85 o
-2 7 1 3080.38 3104.75 14.91 o
-1 7 1 27.72 39.94 3.86 o
0 7 1 287.81 303.64 9.02 o
-3 8 1 1317.36 1313.79 11.90 o
-2 8 1 226.57 229.44 6.12 o
-1 8 1 134.68 141.09 6.45 o
0 8 1 6.70 19.05 8.60 o
-4 9 1 6.24 26.78 6.52 o
-3 9 1 1589.18 1588.06 15.50 o
-2 9 1 335.72 327.85 9.52 o
-1 9 1 0.63 13.06 7.68 o
0 9 1 138.80 137.52 14.20 o
-4 10 1 83.42 95.29 10.34 o
-3 10 1 90.20 77.15 10.85 o
-2 10 1 2037.50 2016.89 21.67 o
0 0 2 10399.60 10340.99 84.22 o
0 1 2 345.08 349.48 2.15 o
-1 2 2 61.64 67.36 1.23 o
0 2 2 173.69 173.83 2.06 o
-1 3 2 12698.85 12368.21 34.56 o
0 3 2 2020.66 1988.00 9.44 o
-2 4 2 7.59 10.35 1.56 o
-1 4 2 0.32 2.75 1.09 o
0 4 2 1313.33 1317.37 8.19 o
-2 5 2 2894.56 2888.35 11.22 o
-1 5 2 8.14 12.08 1.76 o
0 5 2 14650.06 14901.88 72.82 o
-3 6 2 4132.53 4099.19 23.39 o
-2 6 2 361.39 362.24 4.31 o
-1 6 2 258.82 275.98 4.13 o
0 6 2 1335.16 1341.64 11.66 o
-3 7 2 1714.11 1726.57 9.84 o
-2 7 2 119.05 136.53 3.97 o
-1 7 2 279.85 291.03 5.52 o
0 7 2 284.28 309.87 9.64 o
-4 8 2 500.24 484.88 11.03 o
-3 8 2 10.94 14.67 5.00 o
-2 8 2 3526.95 3500.04 21.10 o
-1 8 2 170.28 181.39 6.79 o
0 8 2 1446.94 1409.84 21.82 o
-4 9 2 552.66 561.65 10.69 o
-3 9 2 403.46 438.38 10.11 o
-2 9 2 930.29 960.65 13.91 o
-1 9 2 345.15 357.59 11.81 o
0 9 2 1316.11 1365.33 27.14 o
-5 10 2 297.48 309.59 20.49 o
-4 10 2 0.34 -8.21 10.02 o
-3 10 2 3.36 17.27 12.30 o
-2 10 2 40.71 44.77 11.30 o
0 1 3 3868.05 3864.98 14.60 o
0 2 3 20568.43 19663.89 75.55 o
-1 3 3 133.67 132.06 1.52 o
0 3 3 3263.96 3187.16 14.22 o
-1 4 3 1338.87 1342.71 6.14 o
0 4 3 2104.86 2152.32 12.91 o
-2 5 3 4719.95 4779.63 17.59 o
-1 5 3 19.73 21.65 1.94 o
0 5 3 280.90 274.43 5.46 o
-2 6 3 17.95 20.97 2.39 o
-1 6 3 4871.22 4864.64 20.51 o
0 6 3 1733.54 1708.86 15.13 o
-3 7 3 11.79 18.15 3.33 o
-2 7 3 4.98 11.46 3.72 o
-1 7 3 14.37 21.79 4.48 o
0 7 3 942.16 952.32 16.22 o
-3 8 3 6263.25 6148.09 33.43 o
-2 8 3 174.94 174.96 6.65 o
-1 8 3 140.71 147.19 7.43 o
0 8 3 1474.81 1486.96 24.80 o
-4 9 3 780.65 772.83 13.15 o
-3 9 3 1531.66 1518.31 16.59 o
-2 9 3 313.70 310.84 10.06 o
-1 9 3 0.98 24.89 10.06 o
0 9 3 95.39 101.64 17.75 o
-4 10 3 106.78 95.22 10.34 o
-3 10 3 1680.78 1629.42 21.52 o
0 0 4 34113.04 31137.11 277.67 o
0 1 4 1846.39 1805.60 8.34 o
-1 2 4 116.46 122.41 2.12 o
0 2 4 165.87 173.76 2.68 o
-1 3 4 1101.22 1105.77 5.00 o
0 3 4 1298.66 1285.05 8.34 o
-2 4 4 3613.53 3678.06 19.42 o
-1 4 4 222.17 224.83 2.90 o
0 4 4 106.43 105.36 3.16 o
-2 5 4 2398.75 2374.28 10.31 o
-1 5 4 502.38 513.77 4.83 o
0 5 4 1405.82 1384.51 11.04 o
-3 6 4 10548.03 10402.35 51.97 o
-2 6 4 817.46 811.26 6.43 o
-1 6 4 15.41 27.90 3.14 o
0 6 4 222.95 233.22 8.65 o
-3 7 4 17.30 18.23 3.98 o
-2 7 4 70.15 77.37 4.93 o
-1 7 4 30.82 26.97 5.30 o
0 7 4 272.40 288.42 12.59 o
-4 8 4 95.86 92.40 8.72 o
-3 8 4 13.17 14.90 5.91 o
-2 8 4 450.27 461.11 9.73 o
-1 8 4 1875.69 1905.44 19.48 o
0 8 4 1379.12 1334.64 25.14 o
-4 9 4 95.31 96.15 10.54 o
-3 9 4 115.85 128.43 9.46 o
-2 9 4 1.07 5.22 11.24 o
-1 9 4 644.68 640.60 17.56 o
-5 10 4 2827.67 2715.97 42.67 o
-4 10 4 114.49 92.95 14.92 o
0 1 5 379.34 398.79 3.76 o
0 2 5 80.06 86.67 2.43 o
-1 3 5 68.60 70.16 1.90 o
0 3 5 20607.32 20679.00 101.36 o
-1 4 5 999.17 1001.79 6.32 o
0 4 5 324.57 330.98 6.60 o
-2 5 5 729.73 730.44 5.92 o
-1 5 5 2983.22 3001.82 13.74 o
0 5 5 225.49 226.02 6.63 o
-2 6 5 36.24 36.90 3.51 o
-1 6 5 305.44 318.07 6.47 o
0 6 5 5988.51 5962.59 47.97 o
-3 7 5 9.77 8.36 5.00 o
-2 7 5 4115.61 4094.74 24.29 o
-1 7 5 21.54 26.36 6.61 o
0 7 5 1006.78 1033.58 20.95 o
-3 8 5 237.47 245.85 8.43 o
-2 8 5 211.07 225.18 9.43 o
-1 8 5 91.66 84.93 10.54 o
0 8 5 143.32 143.26 15.78 o
-4 9 5 44.00 47.37 10.04 o
-3 9 5 1140.44 1074.12 17.75 o
-2 9 5 246.72 234.11 12.36 o
0 0 6 28411.94 28018.79 284.68 o
0 1 6 21.02 28.25 2.29 o
-1 2 6 711.19 710.35 5.72 o
0 2 6 1280.79 1306.70 9.55 o
-1 3 6 619.94 617.74 4.74 o
0 3 6 5101.30 5128.43 28.36 o
-2 4 6 2578.69 2615.70 17.20 o
-1 4 6 336.85 355.31 4.91 o
0 4 6 1069.32 1065.76 11.26 o
-2 5 6 20.53 21.44 3.34 o
-1 5 6 14.44 14.33 3.95 o
0 5 6 195.59 210.61 8.31 o
-3 6 6 7474.13 7466.25 50.60 o
-2 6 6 2.60 2.89 4.73 o
-1 6 6 284.89 299.31 7.19 o
0 6 6 910.12 888.71 18.19 o
-3 7 6 22.05 25.33 6.23 o
-2 7 6 1298.05 1273.17 15.15 o
-1 7 6 684.81 691.81 12.59 o
0 7 6 127.69 124.66 13.19 o
-4 8 6 748.72 729.58 26.79 o
-3 8 6 593.16 584.91 12.24 o
-2 8 6 360.60 348.65 11.74 o
-1 8 6 1437.74 1438.69 20.38 o
-4 9 6 519.00 508.64 15.72 o
-3 9 6 695.31 643.63 43.45 o
0 1 7 537.21 579.70 6.69 o
0 2 7 4497.10 4516.50 25.75 o
-1 3 7 53.17 53.98 3.06 o
0 3 7 3335.55 3342.28 23.40 o
-1 4 7 630.31 638.69 7.39 o
0 4 7 324.14 319.99 9.70 o
-2 5 7 712.44 731.91 9.70 o
-1 5 7 215.98 214.74 6.51 o
0 5 7 193.90 209.18 10.36 o
-2 6 7 9.88 8.99 6.84 o
-1 6 7 1656.71 1677.63 15.97 o
0 6 7 1655.61 1607.76 29.85 o
-3 7 7 9.95 11.95 9.62 o
-2 7 7 217.70 205.45 9.75 o
-1 7 7 9.23 13.21 9.45 o
0 7 7 50.12 76.76 18.53 o
-3 8 7 2273.60 2213.12 26.77 o
-2 8 7 165.81 178.13 12.71 o
0 0 8 2496.99 2515.10 45.24 o
0 1 8 869.56 874.34 11.21 o
-1 2 8 355.84 361.11 7.94 o
0 2 8 996.06 993.36 14.33 o
-1 3 8 2386.76 2397.97 15.22 o
0 3 8 1.39 -4.55 6.83 o
-2 4 8 119.74 133.69 9.30 o
-1 4 8 355.34 349.24 7.19 o
0 4 8 18.31 29.12 8.08 o
-2 5 8 2891.54 2853.33 21.31 o
-1 5 8 334.54 328.15 8.54 o
0 5 8 4582.53 4614.70 40.44 o
-3 6 8 2413.19 2392.35 29.89 o
-2 6 8 850.12 836.01 15.44 o
-1 6 8 7.70 28.37 8.93 o
0 6 8 92.65 92.81 15.48 o
-3 7 8 275.04 264.22 11.44 o
-2 7 8 93.58 85.85 12.10 o
-1 7 8 5.59 -5.64 13.08 o
0 1 9 249.42 260.27 9.13 o
0 2 9 2515.78 2536.85 26.76 o
-1 3 9 47.09 34.14 8.05 o
0 3 9 2226.70 2242.31 25.00 o
-1 4 9 428.00 422.46 10.27 o
0 4 9 155.23 165.35 14.48 o
-2 5 9 324.96 331.10 10.00 o
-1 5 9 168.16 145.54 10.77 o
0 5 9 182.46 154.62 16.86 o
-2 6 9 4.61 0.82 11.32 o
-1 6 9 1084.97 1026.69 27.51 o
0 0 10 9454.19 9557.20 166.17 o
0 1 10 20.59 36.08 11.58 o
-1 2 10 225.72 245.86 14.47 o
0 2 10 540.25 525.08 18.51 o
-1 3 10 242.91 246.31 10.97 o
0 3 10 1803.36 1766.29 30.44 o
-2 4 10 963.92 991.75 28.55 o
-1 4 10 137.91 148.61 11.86 o
0 4 10 467.36 459.46 19.88 o
0 1 11 59.54 54.81 19.87 o