data_1540575
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.22344(32)
_cell_length_b                   5.22344(32)
_cell_length_c                   11.50019(90)
_cod_data_source_file            CaGd2MoO44.fcf
_cod_data_source_block           a
_shelx_f_squared_multiplier      1
loop_
_symmetry_equiv_pos_as_xyz
'-x, -y, -z'
'-x, -y+1/2, z'
'-x+1/2, -y, z+1/2'
'-x+1/2, -y+1/2, -z+1/2'
'-y+1/4, x+1/4, -z+1/4'
'-y+1/4, x-1/4, z-1/4'
'-y-1/4, x+1/4, z+1/4'
'-y-1/4, x-1/4, -z-1/4'
'y+1/4, -x+1/4, z+1/4'
'y+1/4, -x-1/4, -z-1/4'
'y-1/4, -x+1/4, -z+1/4'
'y-1/4, -x-1/4, z-1/4'
'x, y, z'
'x, y+1/2, -z'
'x+1/2, y, -z+1/2'
'x+1/2, y+1/2, z+1/2'
loop_
_refln_index_h
_refln_index_k
_refln_index_l
_refln_F_squared_meas
_refln_F_squared_calc
_refln_phase_calc
0 1 1 0.99 0.96 180.00000
1 1 2 28.70 28.49 180.00000
0 1 3 0.68 0.68 180.00000
0 0 4 4.10 4.12 180.00000
0 2 0 8.12 7.41 180.00000
0 2 2 0.22 0.20 180.00000
2 1 1 0.18 0.14 0.00000
1 2 1 1.35 1.11 180.00000
1 1 4 1.25 1.10 180.00000
0 1 5 0.07 0.06 0.00000
2 1 3 1.01 0.87 180.00000
1 2 3 0.18 0.16 180.00000
0 2 4 21.43 22.98 0.00000
2 2 0 11.76 10.57 180.00000
2 2 2 0.17 0.13 180.00000
0 3 1 0.05 0.05 0.00000
1 1 6 15.91 15.29 0.00000
2 1 5 0.73 0.70 0.00000
1 2 5 0.66 0.64 0.00000
1 3 2 16.91 15.75 0.00000
3 1 2 13.27 12.34 180.00000
0 3 3 0.20 0.19 0.00000
0 1 7 0.09 0.09 0.00000
2 2 4 12.33 13.25 0.00000
0 2 6 0.00 0.00 180.00000
0 0 8 3.49 2.68 0.00000
2 3 1 1.39 1.07 0.00000
3 2 1 0.19 0.15 180.00000
1 3 4 0.01 0.01 180.00000
3 1 4 0.05 0.04 0.00000
0 3 5 0.94 0.93 180.00000
2 3 3 0.28 0.27 0.00000
3 2 3 0.85 0.83 0.00000
1 2 7 0.54 0.64 180.00000
2 1 7 0.41 0.46 0.00000
1 1 8 0.30 0.31 180.00000