data_[Ba6Zn4Cd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Zn  1.6500  1.3500  0.8800
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.4352]
_cell_length_b [5.0066]
_cell_length_c [9.8513]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.4588]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba3(ZnCd2)2]
_chemical_formula_sum '[Ba6 Zn4 Cd8]'
_cell_volume [588.1892]
_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
[
  Ba  Ba0  4  0.1668  0.5000  0.6625  1
  Ba  Ba1  2  0.0000  0.0000  0.0000  1
  Zn  Zn2  4  0.1089  0.5000  0.2776  1
  Cd  Cd3  4  0.0552  0.0000  0.3817  1
  Cd  Cd4  4  0.2204  0.5000  0.0625  1
]