data_[Mg4Cd2Br12]
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 [C2/m]
_cell_length_a [13.4619]
_cell_length_b [4.1863]
_cell_length_c [11.1800]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.3735]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg2CdBr6]
_chemical_formula_sum '[Mg4 Cd2 Br12]'
_cell_volume [626.1593]
_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  4  0.2169  0.5000  0.2405  1.0
  Cd  Cd1  2  0.0000  0.0000  0.5000  1.0
  Br  Br2  4  0.0951  0.0000  0.7265  1.0
  Br  Br3  4  0.1332  0.5000  0.4367  1.0
  Br  Br4  4  0.1606  0.0000  0.1225  1.0
]