data_[Ba16Zn4Cd2]
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 [21.2565]
_cell_length_b [5.9883]
_cell_length_c [8.3522]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.3503]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba8Zn2Cd]
_chemical_formula_sum '[Ba16 Zn4 Cd2]'
_cell_volume [1014.7874]
_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  0.0371  0.0000  0.7959  1
  Ba  Ba1  4  0.0949  0.5000  0.4515  1
  Ba  Ba2  4  0.1721  0.5000  0.9716  1
  Ba  Ba3  4  0.2024  0.0000  0.3227  1
  Zn  Zn4  4  0.1862  0.0000  0.7120  1
  Cd  Cd5  2  0.0000  0.5000  0.0000  1
]