data_[Ba2Cd2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Cd  1.6900  1.5500  1.0900
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.7608]
_cell_length_b [10.5398]
_cell_length_c [6.7753]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.7952]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaCdBr4]
_chemical_formula_sum '[Ba2 Cd2 Br8]'
_cell_volume [474.2480]
_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
[
  Ba  Ba0  2  0.3986  0.7500  0.3945  1
  Cd  Cd1  2  0.0986  0.2500  0.1031  1
  Br  Br2  4  0.2943  0.0567  0.3010  1
  Br  Br3  2  0.1151  0.2500  0.7202  1
  Br  Br4  2  0.2861  0.7500  0.8832  1
]