data_[Mg2Cd2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [P2_1/m]
_cell_length_a [13.7899]
_cell_length_b [3.9434]
_cell_length_c [18.2129]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [MgCdBr4]
_chemical_formula_sum '[Mg2 Cd2 Br8]'
_cell_volume [990.3982]
_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
[
  Mg  Mg0  2  0.1214  0.7500  0.4994  1
  Cd  Cd1  2  0.3717  0.2500  0.4985  1
  Br  Br2  2  0.0417  0.2500  0.5823  1
  Br  Br3  2  0.1991  0.2500  0.4154  1
  Br  Br4  2  0.2825  0.7500  0.5853  1
  Br  Br5  2  0.4593  0.7500  0.4118  1
]