#------------------------------------------------------------------------------
#$Date: 2017-07-25 12:48:54 +0300 (Tue, 25 Jul 2017) $
#$Revision: 199193 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/22/2242228.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_2242228
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_length_a                   6.8350
_cell_length_b                   6.8350
_cell_length_c                   5.8318
_exptl_crystal_F_000             324.52
_reflns_d_resolution_high        0.7754
_cod_data_source_file            wm5362Isup3.hkl
_cod_data_source_block           I
_shelx_title                     ' P63_a.res in P6(3)/mmc'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            184.91
_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 5075.63 5791.84 28.90 o
-1 2 0 27330.96 24341.75 117.01 o
0 2 0 282.87 211.39 5.95 o
-1 3 0 3244.30 2840.38 14.87 o
0 3 0 17784.33 17327.20 84.67 o
-2 4 0 34189.97 31051.65 147.08 o
-1 4 0 1949.22 1757.17 13.74 o
0 4 0 145.34 83.09 7.92 o
-2 5 0 1126.79 1115.13 13.77 o
-1 5 0 8365.49 8242.95 36.86 o
0 5 0 1066.37 1030.74 21.50 o
-3 6 0 5824.55 6112.23 47.81 o
-2 6 0 45.89 94.51 8.98 o
-1 6 0 741.56 727.95 14.52 o
0 6 0 9911.67 9634.35 70.47 o
-3 7 0 562.94 703.94 18.92 o
-2 7 0 3437.25 3480.49 33.43 o
-1 7 0 284.14 440.05 18.73 o
0 7 0 149.69 141.59 26.62 o
-4 8 0 5852.15 5970.63 78.11 o
-3 8 0 258.70 356.31 24.72 o
-2 8 0 6.62 23.80 24.36 o
-1 8 0 1319.00 1302.23 42.03 o
0 1 1 3512.45 4053.55 16.17 o
0 2 1 15794.42 16395.37 53.85 o
-1 3 1 2431.49 2727.99 10.47 o
0 3 1 7.95 7.73 3.26 o
-1 4 1 1508.42 1704.85 9.62 o
0 4 1 6927.05 7150.57 32.59 o
-2 5 1 1084.68 1142.05 9.42 o
-1 5 1 4.48 6.24 4.31 o
0 5 1 995.21 1051.74 15.07 o
-2 6 1 3941.83 4006.03 19.05 o
-1 6 1 602.50 591.23 9.67 o
0 6 1 0.04 16.99 11.79 o
-3 7 1 543.74 550.08 12.07 o
-2 7 1 8.72 30.21 9.60 o
-1 7 1 305.28 341.99 12.72 o
0 7 1 272.23 198.17 24.77 o
-3 8 1 223.42 231.36 16.94 o
-2 8 1 1473.89 1452.93 32.89 o
-1 8 1 1.45 7.45 21.04 o
0 0 2 4707.79 4494.87 39.47 o
0 1 2 9865.29 10672.17 38.37 o
-1 2 2 60.53 23.99 2.41 o
0 2 2 14276.47 13828.79 49.55 o
-1 3 2 6135.17 5878.38 18.25 o
0 3 2 26.85 0.85 3.83 o
-2 4 2 1935.71 2273.44 15.39 o
-1 4 2 4399.76 4103.35 16.24 o
0 4 2 6790.51 6415.33 31.93 o
-2 5 2 3350.63 3212.66 14.96 o
-1 5 2 10.14 6.87 4.77 o
0 5 2 2069.15 1830.26 21.19 o
-3 6 2 9.71 7.37 9.13 o
-2 6 2 3678.64 3595.04 20.66 o
-1 6 2 1529.48 1559.58 16.32 o
0 6 2 834.34 903.16 23.69 o
-3 7 2 1099.54 1239.18 17.66 o
-2 7 2 1.87 8.14 10.67 o
-1 7 2 980.72 863.23 21.29 o
0 7 2 835.17 892.03 36.86 o
-4 8 2 567.31 479.19 32.70 o
-3 8 2 669.35 689.74 24.52 o
-2 8 2 1262.99 1301.66 39.23 o
0 1 3 1721.71 1840.94 11.57 o
0 2 3 5529.95 5489.28 23.95 o
-1 3 3 1257.12 1305.58 7.97 o
0 3 3 2.43 9.66 4.63 o
-1 4 3 842.47 887.45 8.85 o
0 4 3 2989.27 2887.59 21.52 o
-2 5 3 626.69 632.35 9.11 o
-1 5 3 1.58 0.02 6.19 o
0 5 3 562.07 594.94 15.84 o
-2 6 3 1781.43 1730.91 17.12 o
-1 6 3 362.78 386.92 11.50 o
0 6 3 0.02 14.51 19.00 o
-3 7 3 319.87 318.77 17.00 o
-2 7 3 3.17 4.92 15.43 o
-1 7 3 195.39 198.47 19.62 o
0 7 3 170.35 153.26 36.85 o
-3 8 3 146.72 112.00 27.74 o
0 0 4 7291.40 8510.65 223.20 o
0 1 4 1.88 39.11 4.53 o
-1 2 4 2753.36 3012.12 18.61 o
0 2 4 138.97 101.02 4.91 o
-1 3 4 2.63 11.82 3.09 o
0 3 4 2022.66 1995.62 16.09 o
-2 4 4 3972.31 3741.83 23.60 o
-1 4 4 0.64 6.58 4.81 o
0 4 4 96.52 110.36 9.65 o
-2 5 4 1.37 1.66 6.97 o
-1 5 4 1098.14 1033.49 14.68 o
0 5 4 0.84 -6.94 12.64 o
-3 6 4 803.63 821.97 26.69 o
-2 6 4 66.68 40.82 13.35 o
-1 6 4 0.40 7.25 15.42 o
0 6 4 1396.20 1361.49 66.26 o
-3 7 4 0.38 17.34 21.05 o
-2 7 4 509.68 492.87 25.59 o
0 1 5 487.11 440.48 12.68 o
0 2 5 1082.20 1047.79 14.19 o
-1 3 5 376.92 355.93 7.20 o
0 3 5 0.30 -2.22 8.73 o
-1 4 5 273.28 262.30 7.87 o
0 4 5 647.48 635.70 15.71 o
-2 5 5 210.57 227.33 11.76 o
-1 5 5 0.21 4.39 12.60 o
0 5 5 182.19 162.52 25.37 o
-2 6 5 399.42 422.17 24.40 o
-1 6 5 128.17 96.95 23.87 o
0 0 6 494.47 437.11 55.12 o
0 1 6 128.53 188.98 17.73 o
-1 2 6 187.85 119.77 12.68 o
0 2 6 196.16 263.28 11.82 o
-1 3 6 93.03 108.17 8.91 o
0 3 6 147.96 138.59 23.92 o
-2 4 6 304.23 350.12 23.89 o
-1 4 6 74.35 59.08 15.04 o
0 4 6 118.21 134.40 28.65 o
-2 5 6 61.64 8.60 19.37 o
-1 5 6 89.56 62.59 22.31 o
0 1 7 84.98 72.89 28.52 o
0 2 7 129.17 203.16 24.95 o
-1 3 7 67.41 49.78 19.70 o