data_[Cd8As2Br6]
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 [Pmn2_1]
_cell_length_a [8.7639]
_cell_length_b [9.0991]
_cell_length_c [7.5116]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Cd4AsBr3]
_chemical_formula_sum '[Cd8 As2 Br6]'
_cell_volume [599.0086]
_cell_formula_units_Z [2]
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  4  0.2247  0.6397  0.9343  1.0
  Cd  Cd1  2  0.0000  0.9109  0.2843  1.0
  Cd  Cd2  2  0.0000  0.9403  0.6377  1.0
  As  As3  2  0.0000  0.8286  0.9566  1.0
  Br  Br4  4  0.2243  0.3680  0.0719  1.0
  Br  Br5  2  0.0000  0.2795  0.5938  1.0
]