data_[Ba16Zn2Cd4]
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 [21.3785]
_cell_length_b [6.0465]
_cell_length_c [8.3476]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.3914]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba8ZnCd2]
_chemical_formula_sum '[Ba16 Zn2 Cd4]'
_cell_volume [1029.7299]
_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  0.0307  0.0000  0.7990  1
  Ba  Ba1  4  0.0925  0.5000  0.4363  1
  Ba  Ba2  4  0.1628  0.5000  0.9653  1
  Ba  Ba3  4  0.2060  0.0000  0.3125  1
  Zn  Zn4  2  0.0000  0.5000  0.0000  1
  Cd  Cd5  4  0.1842  0.0000  0.7127  1
]