data_[Cd2As2Br2]
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 [P2_1/m]
_cell_length_a [4.6672]
_cell_length_b [3.9332]
_cell_length_c [11.1653]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.8410]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CdAsBr]
_chemical_formula_sum '[Cd2 As2 Br2]'
_cell_volume [200.6006]
_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  2  0.0951  0.2500  0.6967  1.0
  As  As1  2  0.4654  0.7500  0.4279  1.0
  Br  Br2  2  0.1811  0.7500  0.8599  1.0
]