data_[Ba8Mg8Cd4]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.4745]
_cell_length_b [5.3948]
_cell_length_c [12.9060]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.7718]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2Mg2Cd]
_chemical_formula_sum '[Ba8 Mg8 Cd4]'
_cell_volume [761.3110]
_cell_formula_units_Z [4]
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  4  0.0126  0.0000  0.3359  1
  Ba  Ba1  4  0.2002  0.0000  0.1156  1
  Mg  Mg2  4  0.0007  0.5000  0.1194  1
  Mg  Mg3  4  0.1485  0.5000  0.5524  1
  Cd  Cd4  4  0.2269  0.5000  0.3540  1
]