data_[Mg2Cd4Br2]
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 [Cm]
_cell_length_a [10.0359]
_cell_length_b [3.6302]
_cell_length_c [7.0915]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.8370]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [MgCd2Br]
_chemical_formula_sum '[Mg2 Cd4 Br2]'
_cell_volume [257.4374]
_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  0.4782  0.0000  0.5609  1
  Cd  Cd1  2  0.1920  0.0000  0.7602  1
  Cd  Cd2  2  0.4149  0.5000  0.8754  1
  Br  Br3  2  0.4149  0.5000  0.3035  1
]