data_[Ba1Mg1Cd2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Mg  1.3100  1.5000  0.8600
  Cd  1.6900  1.5500  1.0900
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [6.9574]
_cell_length_b [6.9574]
_cell_length_c [9.4028]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [BaMg(CdBr4)2]
_chemical_formula_sum '[Ba1 Mg1 Cd2 Br8]'
_cell_volume [394.1654]
_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
[
  Ba  Ba0  1  0.0000  0.0000  0.0000  1
  Mg  Mg1  1  0.0000  0.0000  0.5000  1
  Cd  Cd2  2  0.3333  0.6667  0.7250  1
  Br  Br3  6  0.0309  0.7152  0.3233  1
  Br  Br4  2  0.3333  0.6667  0.0038  1
]