data_[Cd3Sb1Br3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Sb  2.0500  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [7.5561]
_cell_length_b [4.7941]
_cell_length_c [7.6787]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.7924]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Cd3SbBr3]
_chemical_formula_sum '[Cd3 Sb1 Br3]'
_cell_volume [276.7392]
_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  0.0203  0.0000  0.6550  1.0
  Cd  Cd1  1  0.1089  0.5000  0.1133  1.0
  Cd  Cd2  1  0.5698  0.5000  0.8787  1.0
  Sb  Sb3  1  0.9145  0.5000  0.7900  1.0
  Br  Br4  1  0.0157  0.0000  0.2939  1.0
  Br  Br5  1  0.4024  0.0000  0.7361  1.0
  Br  Br6  1  0.4603  0.5000  0.1996  1.0
]