data_9011252
_publ_section_title
;
 More space-group changes
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              77
_journal_page_last               88
_journal_volume                  44
_journal_year                    1988
_chemical_formula_structural     Cd2As3I
_chemical_formula_sum            'As3 Cd2 I'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 100.65
_cell_angle_gamma                90
_cell_length_a                   8.436
_cell_length_b                   9.594
_cell_length_c                   7.952
_cell_volume                     632.509
_exptl_crystal_density_diffrn    6.054
_[local]_cod_chemical_formula_sum_orig 'Cd2 As3 I'
_cod_database_code               9011252
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,1/2+z
1/2+x,1/2-y,1/2+z
-x,y,1/2-z
1/2-x,1/2+y,1/2-z
-x,-y,-z
1/2-x,1/2-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Cd12 0.24510 0.14440 0.29000 0.02210
As13 0.12430 0.04720 -0.03070 0.01510
As2 0.50000 0.29050 0.25000 0.01290
I 0.00000 0.37360 0.25000 0.02410
