#------------------------------------------------------------------------------
#$Date: 2018-02-17 09:22:08 +0200 (Sat, 17 Feb 2018) $
#$Revision: 206485 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/1/54/89/1548931.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_1548931
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_length_a                   7.6981
_cell_length_b                   7.6981
_cell_length_c                   7.6231
_exptl_crystal_F_000             471.38
_reflns_d_resolution_high        0.8012
_cod_data_source_file            wm4071Isup2.hkl
_cod_data_source_block           I
_shelx_title                     ' P32mmc_10_a.res in P6(3)/mmc'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            162.38
_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 1549.77 1796.66 28.15 o
-1 2 0 43.03 27.73 1.35 o
0 2 0 1960.28 2278.94 33.90 o
-1 3 0 55.34 71.38 1.74 o
0 3 0 4766.41 4913.46 66.76 o
-2 4 0 26368.56 26721.44 377.12 o
-1 4 0 16.33 10.51 1.49 o
0 4 0 542.56 555.03 10.69 o
-2 5 0 360.70 353.84 5.64 o
-1 5 0 579.50 568.15 7.34 o
0 5 0 546.26 614.96 12.74 o
-3 6 0 17768.14 17636.85 193.04 o
-2 6 0 72.68 63.33 1.72 o
-1 6 0 8.25 13.86 1.27 o
0 6 0 139.99 143.94 3.61 o
-3 7 0 795.30 772.17 12.25 o
-2 7 0 1172.84 1108.56 9.21 o
-1 7 0 238.63 240.05 2.84 o
0 7 0 31.42 57.75 2.06 o
-4 8 0 24.49 14.47 1.41 o
-3 8 0 291.28 261.15 2.98 o
-2 8 0 3.26 8.24 0.97 o
-1 8 0 5222.54 5236.27 42.86 o
0 8 0 210.97 236.62 4.03 o
-4 9 0 142.31 149.57 1.92 o
-3 9 0 46.27 45.70 1.16 o
-2 9 0 469.45 459.88 5.05 o
0 1 1 225.42 265.99 2.22 o
0 2 1 5832.68 6336.12 70.32 o
-1 3 1 13.91 25.36 0.81 o
0 3 1 20161.71 20642.31 225.51 o
-1 4 1 2016.64 2052.07 17.74 o
0 4 1 257.74 260.85 5.20 o
-2 5 1 118.24 105.44 2.41 o
-1 5 1 3315.96 3314.37 25.33 o
0 5 1 115.76 117.46 2.68 o
-2 6 1 32.36 24.15 1.13 o
-1 6 1 1513.32 1460.95 8.04 o
0 6 1 3339.81 3323.98 64.16 o
-3 7 1 32.57 38.27 0.95 o
-2 7 1 4058.31 3991.12 22.77 o
-1 7 1 164.61 161.27 1.69 o
0 7 1 142.83 129.17 2.04 o
-3 8 1 1309.69 1267.36 7.69 o
-2 8 1 77.32 80.68 1.41 o
-1 8 1 21.60 21.80 0.66 o
0 8 1 6.84 0.62 0.65 o
-4 9 1 8.29 8.98 0.52 o
-3 9 1 174.19 180.51 1.56 o
-2 9 1 191.97 178.28 1.68 o
0 1 2 11.30 30.27 0.95 o
-1 2 2 29.43 21.92 0.92 o
0 2 2 58.76 75.17 1.36 o
-1 3 2 13050.48 12904.03 98.56 o
0 3 2 741.31 710.45 8.38 o
-2 4 2 560.29 525.90 7.61 o
-1 4 2 75.80 72.66 2.07 o
0 4 2 725.09 701.45 10.58 o
-2 5 2 2230.76 2094.79 18.37 o
-1 5 2 118.12 111.40 2.47 o
0 5 2 14611.63 14259.64 103.78 o
-3 6 2 3060.44 3006.04 22.83 o
-2 6 2 169.95 157.13 1.89 o
-1 6 2 684.33 646.18 4.07 o
0 6 2 410.10 392.32 3.91 o
-3 7 2 2944.52 2968.99 16.64 o
-2 7 2 76.99 67.82 1.32 o
-1 7 2 61.12 60.94 1.18 o
0 7 2 294.57 298.08 3.83 o
-4 8 2 263.50 244.59 2.93 o
-3 8 2 4.14 16.56 0.77 o
-2 8 2 2102.94 2121.18 12.97 o
-1 8 2 360.39 360.24 2.62 o
0 8 2 694.43 670.63 7.41 o
-4 9 2 125.02 117.49 1.19 o
-3 9 2 61.94 60.94 1.01 o
0 1 3 1958.08 2155.20 21.87 o
0 2 3 23741.62 24139.72 307.94 o
-1 3 3 22.18 24.70 0.99 o
0 3 3 2524.45 2490.94 34.88 o
-1 4 3 947.51 875.38 7.52 o
0 4 3 4047.48 3934.13 49.92 o
-2 5 3 2999.79 2886.40 18.73 o
-1 5 3 111.15 106.38 1.75 o
0 5 3 87.79 99.66 2.37 o
-2 6 3 292.07 289.32 2.56 o
-1 6 3 3704.33 3619.68 20.91 o
0 6 3 810.97 835.61 7.34 o
-3 7 3 56.31 64.19 1.33 o
-2 7 3 35.90 50.58 1.13 o
-1 7 3 41.22 33.21 0.90 o
0 7 3 1239.62 1290.79 11.58 o
-3 8 3 4206.36 4248.73 26.16 o
-2 8 3 12.58 27.83 0.73 o
-1 8 3 77.19 80.79 1.07 o
-4 9 3 614.34 600.52 5.02 o
0 1 4 879.24 919.13 11.06 o
-1 2 4 260.82 276.87 4.48 o
0 2 4 33.11 51.48 2.09 o
-1 3 4 946.39 937.68 9.06 o
0 3 4 469.71 422.93 6.25 o
-2 4 4 6247.61 5884.46 87.23 o
-1 4 4 74.03 70.99 2.25 o
0 4 4 36.96 41.34 1.77 o
-2 5 4 1515.41 1405.69 9.28 o
-1 5 4 630.64 619.33 4.51 o
0 5 4 1146.84 1130.46 10.84 o
-3 6 4 7126.93 7206.04 59.20 o
-2 6 4 387.86 372.92 3.02 o
-1 6 4 10.75 14.10 1.04 o
0 6 4 22.69 21.51 1.17 o
-3 7 4 30.09 33.30 0.97 o
-2 7 4 60.15 58.91 1.21 o
-1 7 4 2.77 4.16 0.68 o
0 7 4 194.37 205.02 2.65 o
-4 8 4 10.47 9.88 0.95 o
-3 8 4 3.56 18.13 0.62 o
-2 8 4 164.89 169.07 1.63 o
-1 8 4 1877.13 1875.22 20.67 o
0 1 5 768.25 824.18 10.50 o
0 2 5 161.41 166.98 3.92 o
-1 3 5 13.83 27.89 1.52 o
0 3 5 14047.92 13269.00 117.48 o
-1 4 5 979.60 932.64 6.83 o
0 4 5 79.80 74.96 2.50 o
-2 5 5 934.00 907.52 6.70 o
-1 5 5 2954.38 2894.04 17.65 o
0 5 5 50.27 74.50 2.15 o
-2 6 5 9.34 4.17 0.84 o
-1 6 5 286.48 293.93 2.63 o
0 6 5 2504.94 2682.13 25.22 o
-3 7 5 12.96 15.80 0.76 o
-2 7 5 4164.47 4461.52 29.65 o
-1 7 5 124.56 126.87 1.47 o
0 7 5 671.74 665.90 8.85 o
-3 8 5 200.78 227.39 2.28 o
0 0 6 21586.31 19362.06 610.20 o
0 1 6 12.90 32.40 2.08 o
-1 2 6 412.70 368.86 6.46 o
0 2 6 1080.31 1018.62 11.33 o
-1 3 6 639.20 611.30 4.94 o
0 3 6 2423.34 2323.68 50.66 o
-2 4 6 3534.11 3441.83 33.32 o
-1 4 6 287.16 268.35 2.92 o
0 4 6 771.13 751.24 8.45 o
-2 5 6 1.57 41.10 1.12 o
-1 5 6 13.02 4.50 0.91 o
0 5 6 273.57 294.66 4.77 o
-3 6 6 3197.74 3465.22 32.41 o
-2 6 6 46.44 56.52 1.23 o
-1 6 6 240.76 237.53 2.28 o
0 6 6 58.54 57.43 1.58 o
-3 7 6 17.07 17.57 0.66 o
-2 7 6 781.04 790.40 8.73 o
0 1 7 223.24 204.85 4.83 o
0 2 7 3987.60 3826.14 42.59 o
-1 3 7 6.94 13.73 1.08 o
0 3 7 1362.17 1340.49 13.16 o
-1 4 7 323.80 318.36 3.10 o
0 4 7 664.68 696.00 8.40 o
-2 5 7 397.04 432.50 3.51 o
-1 5 7 163.64 176.88 1.92 o
0 5 7 30.44 58.68 1.74 o
-2 6 7 47.82 44.06 1.19 o
-1 6 7 965.27 1042.62 9.87 o
0 0 8 1462.08 1407.17 80.20 o
0 1 8 259.72 241.20 5.78 o
-1 2 8 357.71 329.06 4.97 o
0 2 8 613.93 629.43 10.98 o
-1 3 8 1316.65 1321.79 10.77 o
0 3 8 72.75 72.62 2.07 o
-2 4 8 209.46 207.58 3.19 o
-1 4 8 129.91 133.90 2.37 o
0 4 8 14.63 19.76 1.24 o
-2 5 8 1289.68 1447.33 16.66 o
0 1 9 33.92 33.46 2.11 o
0 2 9 1239.58 1254.96 23.00 o
-1 3 9 4.64 12.59 0.94 o