data_[Cd3As1Br3]
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 [Pm]
_cell_length_a [7.3190]
_cell_length_b [4.5617]
_cell_length_c [7.5750]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.8817]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Cd3AsBr3]
_chemical_formula_sum '[Cd3 As1 Br3]'
_cell_volume [252.5874]
_cell_formula_units_Z [1]
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  1  0.0255  0.0000  0.6751  1.0
  Cd  Cd1  1  0.0935  0.5000  0.1143  1.0
  Cd  Cd2  1  0.5861  0.5000  0.8691  1.0
  As  As3  1  0.9296  0.5000  0.8045  1.0
  Br  Br4  1  0.4196  0.0000  0.7088  1.0
  Br  Br5  1  0.4513  0.5000  0.1889  1.0
  Br  Br6  1  0.9864  0.0000  0.3059  1.0
]