#------------------------------------------------------------------------------
#$Date: 2018-02-28 09:17:11 +0200 (Wed, 28 Feb 2018) $
#$Revision: 206689 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/10/2021041.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_2021041
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_length_a                   3.1970
_cell_length_b                   3.1970
_cell_length_c                   5.1943
_exptl_crystal_F_000             27.24
_reflns_d_resolution_high        0.7167
_cod_data_source_file            ku3217Isup2.hkl
_cod_data_source_block           I
_shelx_title                     ' mglialcx in P-6m2'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            11.70
_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'
'-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
-1 1 0 19.87 17.04 0.35 o
0 1 0 19.87 17.04 0.35 o
-2 2 0 6.44 6.43 0.17 o
-1 2 0 114.91 116.57 1.45 o
0 2 0 6.44 6.43 0.17 o
-3 3 0 11.21 10.77 0.24 o
-2 3 0 1.71 1.79 0.06 o
-1 3 0 1.71 1.79 0.06 o
0 3 0 11.21 10.77 0.24 o
-3 4 0 0.12 0.13 0.09 o
-2 4 0 4.00 3.56 0.08 o
-1 4 0 0.11 0.13 0.07 o
0 0 1 3.38 2.65 0.35 o
-1 1 1 136.91 137.38 1.70 o
0 1 1 136.90 137.38 1.70 o
-2 2 1 36.97 36.39 0.48 o
-1 2 1 0.28 0.36 0.02 o
0 2 1 36.97 36.39 0.48 o
-3 3 1 0.00 0.04 0.04 o
-2 3 1 11.16 11.11 0.12 o
-1 3 1 11.16 11.11 0.12 o
0 3 1 0.00 0.04 0.04 o
-3 4 1 1.24 2.30 0.12 o
-2 4 1 0.01 0.00 0.03 o
-1 4 1 1.24 2.35 0.11 o
0 0 2 125.13 122.50 2.64 o
-1 1 2 55.69 59.05 0.75 o
0 1 2 55.71 59.05 0.75 o
-2 2 2 15.26 15.04 0.22 o
-1 2 2 36.55 36.20 0.34 o
0 2 2 15.26 15.04 0.22 o
-3 3 2 3.14 3.23 0.08 o
-2 3 2 5.06 4.86 0.07 o
-1 3 2 5.06 4.86 0.07 o
0 3 2 3.14 3.23 0.08 o
-3 4 2 0.72 0.97 0.09 o
-2 4 2 0.97 0.84 0.05 o
-1 4 2 0.72 0.97 0.07 o
0 0 3 0.79 0.63 0.06 o
-1 1 3 48.97 50.36 0.65 o
0 1 3 48.96 50.36 0.65 o
-2 2 3 14.53 14.27 0.21 o
-1 2 3 0.08 0.15 0.03 o
0 2 3 14.53 14.27 0.21 o
-3 3 3 0.00 0.02 0.04 o
-2 3 3 4.65 4.51 0.06 o
-1 3 3 4.64 4.52 0.06 o
0 3 3 0.00 0.02 0.04 o
0 0 4 56.80 59.79 1.32 o
-1 1 4 3.32 3.26 0.08 o
0 1 4 3.32 3.26 0.08 o
-2 2 4 0.88 1.03 0.05 o
-1 2 4 17.91 18.05 0.18 o
0 2 4 0.88 1.02 0.05 o
-3 3 4 2.27 1.79 0.21 o
-2 3 4 0.24 0.28 0.02 o
-1 3 4 0.24 0.28 0.02 o
0 3 4 2.27 1.79 0.21 o
0 0 5 0.02 0.08 0.07 o
-1 1 5 7.72 7.98 0.14 o
0 1 5 7.72 7.98 0.14 o
-2 2 5 2.55 2.50 0.06 o
-1 2 5 0.03 0.03 0.03 o
0 2 5 2.55 2.50 0.07 o
-2 3 5 0.89 1.35 0.19 o
-1 3 5 0.89 1.34 0.07 o
0 0 6 3.00 3.13 0.13 o
-1 1 6 1.56 1.60 0.05 o
0 1 6 1.56 1.60 0.06 o
-2 2 6 0.61 0.31 0.10 o
-1 2 6 0.95 0.74 0.05 o
0 2 6 0.61 0.31 0.10 o
0 0 7 0.00 0.01 0.10 o
-1 1 7 0.66 0.25 0.05 o
0 1 7 0.66 0.25 0.05 o