data_2300449
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.463209(47)
_cell_length_b                   5.463209(47)
_cell_length_c                   5.463209(47)
_cod_data_source_file            to5064CaF2_BTEMsup4.hkl
_cod_data_source_block           CaF2_BTEM
#BEGIN Tags that were not found in dictionaries:
_shelx_f_squared_multiplier      1
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'-x, -y, -z'
'-x, -y, z'
'-x, -y+1/2, -z+1/2'
'-x, -y+1/2, z+1/2'
'-x, -z, -y'
'-x, -z, y'
'-x, -z+1/2, -y+1/2'
'-x, -z+1/2, y+1/2'
'-x, z, -y'
'-x, z, y'
'-x, z+1/2, -y+1/2'
'-x, z+1/2, y+1/2'
'-x, y, -z'
'-x, y, z'
'-x, y+1/2, -z+1/2'
'-x, y+1/2, z+1/2'
'-x+1/2, -y, -z+1/2'
'-x+1/2, -y, z+1/2'
'-x+1/2, -y+1/2, -z'
'-x+1/2, -y+1/2, z'
'-x+1/2, -z, -y+1/2'
'-x+1/2, -z, y+1/2'
'-x+1/2, -z+1/2, -y'
'-x+1/2, -z+1/2, y'
'-x+1/2, z, -y+1/2'
'-x+1/2, z, y+1/2'
'-x+1/2, z+1/2, -y'
'-x+1/2, z+1/2, y'
'-x+1/2, y, -z+1/2'
'-x+1/2, y, z+1/2'
'-x+1/2, y+1/2, -z'
'-x+1/2, y+1/2, z'
'-y, -x, -z'
'-y, -x, z'
'-y, -x+1/2, -z+1/2'
'-y, -x+1/2, z+1/2'
'-y, -z, -x'
'-y, -z, x'
'-y, -z+1/2, -x+1/2'
'-y, -z+1/2, x+1/2'
'-y, z, -x'
'-y, z, x'
'-y, z+1/2, -x+1/2'
'-y, z+1/2, x+1/2'
'-y, x, -z'
'-y, x, z'
'-y, x+1/2, -z+1/2'
'-y, x+1/2, z+1/2'
'-y+1/2, -x, -z+1/2'
'-y+1/2, -x, z+1/2'
'-y+1/2, -x+1/2, -z'
'-y+1/2, -x+1/2, z'
'-y+1/2, -z, -x+1/2'
'-y+1/2, -z, x+1/2'
'-y+1/2, -z+1/2, -x'
'-y+1/2, -z+1/2, x'
'-y+1/2, z, -x+1/2'
'-y+1/2, z, x+1/2'
'-y+1/2, z+1/2, -x'
'-y+1/2, z+1/2, x'
'-y+1/2, x, -z+1/2'
'-y+1/2, x, z+1/2'
'-y+1/2, x+1/2, -z'
'-y+1/2, x+1/2, z'
'-z, -x, -y'
'-z, -x, y'
'-z, -x+1/2, -y+1/2'
'-z, -x+1/2, y+1/2'
'-z, -y, -x'
'-z, -y, x'
'-z, -y+1/2, -x+1/2'
'-z, -y+1/2, x+1/2'
'-z, y, -x'
'-z, y, x'
'-z, y+1/2, -x+1/2'
'-z, y+1/2, x+1/2'
'-z, x, -y'
'-z, x, y'
'-z, x+1/2, -y+1/2'
'-z, x+1/2, y+1/2'
'-z+1/2, -x, -y+1/2'
'-z+1/2, -x, y+1/2'
'-z+1/2, -x+1/2, -y'
'-z+1/2, -x+1/2, y'
'-z+1/2, -y, -x+1/2'
'-z+1/2, -y, x+1/2'
'-z+1/2, -y+1/2, -x'
'-z+1/2, -y+1/2, x'
'-z+1/2, y, -x+1/2'
'-z+1/2, y, x+1/2'
'-z+1/2, y+1/2, -x'
'-z+1/2, y+1/2, x'
'-z+1/2, x, -y+1/2'
'-z+1/2, x, y+1/2'
'-z+1/2, x+1/2, -y'
'-z+1/2, x+1/2, y'
'z, -x, -y'
'z, -x, y'
'z, -x+1/2, -y+1/2'
'z, -x+1/2, y+1/2'
'z, -y, -x'
'z, -y, x'
'z, -y+1/2, -x+1/2'
'z, -y+1/2, x+1/2'
'z, y, -x'
'z, y, x'
'z, y+1/2, -x+1/2'
'z, y+1/2, x+1/2'
'z, x, -y'
'z, x, y'
'z, x+1/2, -y+1/2'
'z, x+1/2, y+1/2'
'z+1/2, -x, -y+1/2'
'z+1/2, -x, y+1/2'
'z+1/2, -x+1/2, -y'
'z+1/2, -x+1/2, y'
'z+1/2, -y, -x+1/2'
'z+1/2, -y, x+1/2'
'z+1/2, -y+1/2, -x'
'z+1/2, -y+1/2, x'
'z+1/2, y, -x+1/2'
'z+1/2, y, x+1/2'
'z+1/2, y+1/2, -x'
'z+1/2, y+1/2, x'
'z+1/2, x, -y+1/2'
'z+1/2, x, y+1/2'
'z+1/2, x+1/2, -y'
'z+1/2, x+1/2, y'
'y, -x, -z'
'y, -x, z'
'y, -x+1/2, -z+1/2'
'y, -x+1/2, z+1/2'
'y, -z, -x'
'y, -z, x'
'y, -z+1/2, -x+1/2'
'y, -z+1/2, x+1/2'
'y, z, -x'
'y, z, x'
'y, z+1/2, -x+1/2'
'y, z+1/2, x+1/2'
'y, x, -z'
'y, x, z'
'y, x+1/2, -z+1/2'
'y, x+1/2, z+1/2'
'y+1/2, -x, -z+1/2'
'y+1/2, -x, z+1/2'
'y+1/2, -x+1/2, -z'
'y+1/2, -x+1/2, z'
'y+1/2, -z, -x+1/2'
'y+1/2, -z, x+1/2'
'y+1/2, -z+1/2, -x'
'y+1/2, -z+1/2, x'
'y+1/2, z, -x+1/2'
'y+1/2, z, x+1/2'
'y+1/2, z+1/2, -x'
'y+1/2, z+1/2, x'
'y+1/2, x, -z+1/2'
'y+1/2, x, z+1/2'
'y+1/2, x+1/2, -z'
'y+1/2, x+1/2, z'
'x, -y, -z'
'x, -y, z'
'x, -y+1/2, -z+1/2'
'x, -y+1/2, z+1/2'
'x, -z, -y'
'x, -z, y'
'x, -z+1/2, -y+1/2'
'x, -z+1/2, y+1/2'
'x, z, -y'
'x, z, y'
'x, z+1/2, -y+1/2'
'x, z+1/2, y+1/2'
'x, y, -z'
'x, y, z'
'x, y+1/2, -z+1/2'
'x, y+1/2, z+1/2'
'x+1/2, -y, -z+1/2'
'x+1/2, -y, z+1/2'
'x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z'
'x+1/2, -z, -y+1/2'
'x+1/2, -z, y+1/2'
'x+1/2, -z+1/2, -y'
'x+1/2, -z+1/2, y'
'x+1/2, z, -y+1/2'
'x+1/2, z, y+1/2'
'x+1/2, z+1/2, -y'
'x+1/2, z+1/2, y'
'x+1/2, y, -z+1/2'
'x+1/2, y, z+1/2'
'x+1/2, y+1/2, -z'
'x+1/2, y+1/2, 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 1 6.23 6.23 0.00 o
0 0 2 0.03 0.03 0.00 o
0 2 2 21.59 21.91 0.01 o
3 1 1 9.99 10.21 0.01 o
2 2 2 0.13 0.16 0.00 o
0 0 4 5.89 5.94 0.01 o
3 3 1 6.55 6.84 0.01 o
0 4 2 0.52 0.60 0.01 o
4 2 2 15.37 15.98 0.02 o
3 3 3 1.62 1.67 0.00 o
5 1 1 4.87 5.02 0.01 o
0 4 4 5.60 5.67 0.02 o
5 3 1 7.81 8.09 0.02 o
4 4 2 0.63 0.65 0.01 o
0 0 6 0.16 0.16 0.00 o
0 6 2 8.73 8.71 0.02 o
5 3 3 3.27 3.20 0.02 o
6 2 2 0.63 0.63 0.01 o