#------------------------------------------------------------------------------
#$Date: 2021-12-22 05:13:15 +0200 (Wed, 22 Dec 2021) $
#$Revision: 271579 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/39/2243959.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_2243959
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_length_a                   5.4527
_cell_length_b                   5.4527
_cell_length_c                   3.1107
_exptl_crystal_F_000             205.00
_reflns_d_resolution_high        0.5504
_cod_data_source_file            wm5627IIsup6.hkl
_cod_data_source_block           II
_shelx_title                     ' prrhb132_a.res in P6/mmm'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            145.05
_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'
'y, -x+y, z'
'x-y, x, z'
'y, x, -z'
'x-y, -y, -z'
'-x, -x+y, -z'
'-y, -x, -z'
'-x+y, y, -z'
'x, x-y, -z'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'x, y, -z'
'-y, x-y, -z'
'-x+y, -x, -z'
'-y, -x, z'
'-x+y, y, z'
'x, x-y, z'
'y, x, z'
'x-y, -y, z'
'-x, -x+y, z'
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 0 108.16 121.85 2.70 o
-1 2 0 343.22 362.04 2.51 o
0 2 0 21038.83 19090.60 21.29 o
-1 3 0 90.06 92.22 1.42 o
0 3 0 208.21 212.22 3.83 o
-2 4 0 12985.41 12933.17 27.50 o
-1 4 0 57.91 57.65 1.43 o
0 4 0 9732.50 9650.22 24.70 o
-2 5 0 48.32 51.59 1.37 o
-1 5 0 98.20 95.39 1.93 o
0 5 0 36.37 36.75 1.87 o
-3 6 0 61.81 62.35 1.97 o
-2 6 0 6110.20 6098.11 40.42 o
-1 6 0 15.81 14.19 1.03 o
0 6 0 5199.55 5248.12 27.91 o
-3 7 0 14.38 14.93 1.12 o
-2 7 0 43.32 47.42 1.65 o
-1 7 0 6.98 9.49 1.33 o
0 7 0 8.89 7.97 1.80 o
-4 8 0 3761.65 3852.24 72.62 o
-3 8 0 2.62 3.94 1.18 o
-2 8 0 3145.12 3193.10 21.66 o
-1 8 0 8.22 9.03 1.17 o
0 8 0 2373.87 2443.86 20.56 o
-4 9 0 3.44 4.06 1.77 o
-3 9 0 8.94 10.37 1.76 o
-2 9 0 3.27 3.46 1.42 o
-1 9 0 0.98 7.12 5.74 o
0 0 1 2772.85 2858.73 25.52 o
0 1 1 6362.98 6375.34 7.31 o
-1 2 1 6384.68 6469.33 7.55 o
0 2 1 2519.10 2563.59 8.64 o
-1 3 1 4011.25 4014.75 10.26 o
0 3 1 4122.16 4114.25 11.13 o
-2 4 1 1201.80 1242.09 5.41 o
-1 4 1 2908.67 2927.22 6.23 o
0 4 1 1294.82 1353.60 10.46 o
-2 5 1 2172.03 2078.90 10.91 o
-1 5 1 2388.09 2366.01 8.47 o
0 5 1 1705.49 1722.51 14.35 o
-3 6 1 1963.83 1915.33 10.01 o
-2 6 1 922.22 956.53 8.34 o
-1 6 1 1463.63 1475.42 7.81 o
0 6 1 636.01 661.74 7.45 o
-3 7 1 1167.51 1184.64 11.50 o
-2 7 1 1260.39 1255.38 13.36 o
-1 7 1 1006.58 1025.65 7.66 o
0 7 1 796.44 787.33 11.60 o
-4 8 1 530.96 540.97 20.45 o
-3 8 1 887.75 886.80 8.33 o
-2 8 1 603.39 623.92 5.88 o
-1 8 1 826.21 838.77 7.62 o
0 8 1 495.45 510.32 8.53 o
-4 9 1 592.92 589.21 7.40 o
-3 9 1 674.38 669.14 8.35 o
-2 9 1 497.34 496.42 7.24 o
0 0 2 14518.54 13612.42 65.26 o
0 1 2 113.71 112.17 1.03 o
-1 2 2 214.80 213.61 2.09 o
0 2 2 10514.13 10266.96 19.37 o
-1 3 2 80.14 80.25 1.33 o
0 3 2 161.88 160.92 2.69 o
-2 4 2 8011.38 7763.34 23.61 o
-1 4 2 52.47 56.83 3.31 o
0 4 2 6316.06 6281.82 21.97 o
-2 5 2 42.38 40.74 0.80 o
-1 5 2 81.82 82.34 1.53 o
0 5 2 31.68 33.56 1.59 o
-3 6 2 52.40 55.10 1.90 o
-2 6 2 4335.99 4229.54 10.48 o
-1 6 2 14.81 15.83 0.87 o
0 6 2 3803.79 3791.41 27.40 o
-3 7 2 13.49 13.63 1.30 o
-2 7 2 37.16 34.21 1.45 o
-1 7 2 7.24 6.29 0.71 o
0 7 2 9.00 10.88 1.20 o
-4 8 2 2817.20 2706.44 24.39 o
-3 8 2 3.17 4.97 0.99 o
-2 8 2 2366.68 2307.68 11.99 o
-1 8 2 8.67 8.99 0.93 o
0 8 2 1807.20 1818.61 22.71 o
-4 9 2 4.12 4.36 0.93 o
-3 9 2 9.36 9.27 1.18 o
0 0 3 541.12 550.91 13.99 o
0 1 3 2071.12 2050.81 7.63 o
-1 2 3 2268.36 2222.81 8.60 o
0 2 3 665.61 672.59 5.24 o
-1 3 3 1648.53 1653.83 6.15 o
0 3 3 1803.03 1796.73 9.79 o
-2 4 3 417.92 430.03 4.31 o
-1 4 3 1359.19 1346.28 8.81 o
0 4 3 524.32 537.83 6.14 o
-2 5 3 1098.99 1072.98 5.66 o
-1 5 3 1240.25 1232.67 6.66 o
0 5 3 909.74 908.57 8.21 o
-3 6 3 1064.72 999.40 8.94 o
-2 6 3 436.70 434.34 4.21 o
-1 6 3 809.45 795.95 5.87 o
0 6 3 307.14 307.25 5.13 o
-3 7 3 665.19 641.41 7.76 o
-2 7 3 724.54 712.55 7.03 o
-1 7 3 586.09 574.90 5.81 o
0 7 3 473.58 468.07 10.02 o
-4 8 3 261.88 259.93 7.64 o
-3 8 3 525.68 497.49 8.03 o
-2 8 3 302.77 299.16 9.34 o
0 0 4 4059.07 3953.76 43.05 o
0 1 4 62.58 63.66 1.56 o
-1 2 4 107.57 114.12 2.97 o
0 2 4 3279.36 3222.35 13.25 o
-1 3 4 46.25 45.32 1.49 o
0 3 4 84.77 87.88 2.95 o
-2 4 4 2922.34 2882.76 18.25 o
-1 4 4 32.60 33.97 1.63 o
0 4 4 2400.19 2359.04 22.79 o
-2 5 4 27.47 27.81 1.53 o
-1 5 4 48.12 48.15 2.33 o
0 5 4 22.32 24.77 2.75 o
-3 6 4 34.13 31.90 3.08 o
-2 6 4 1803.40 1768.07 13.12 o
-1 6 4 13.28 15.31 1.87 o
0 6 4 1640.32 1693.72 24.68 o
0 0 5 93.17 91.01 8.30 o
0 1 5 608.89 616.96 7.34 o
-1 2 5 689.11 693.20 9.16 o
0 2 5 136.62 143.77 4.67 o
-1 3 5 521.64 550.04 6.23 o
0 3 5 583.42 601.67 14.11 o
-2 4 5 85.97 86.84 3.59 o
-1 4 5 454.39 466.44 6.87 o
0 4 5 118.10 119.92 8.93 o