data_[Cd8As12Br4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  As  2.1800  1.1500  0.6600
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.4482]
_cell_length_b [9.6513]
_cell_length_c [8.1827]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.1825]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cd2As3Br]
_chemical_formula_sum '[Cd8 As12 Br4]'
_cell_volume [654.5209]
_cell_formula_units_Z [4]
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
[
  Cd  Cd0  8  0.2376  0.1506  0.7920  1.0
  As  As1  8  0.1269  0.0472  0.4717  1.0
  As  As2  4  0.0000  0.2091  0.2500  1.0
  Br  Br3  4  0.0000  0.3616  0.7500  1.0
]