data_[Ba8Zn8Cd4]
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 [11.9341]
_cell_length_b [5.1506]
_cell_length_c [12.2269]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.2016]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2Zn2Cd]
_chemical_formula_sum '[Ba8 Zn8 Cd4]'
_cell_volume [656.0439]
_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  0.0205  0.5000  0.3360  1.0
  Ba  Ba1  4  0.2046  0.5000  0.1173  1.0
  Zn  Zn2  4  0.0009  0.0000  0.8934  1.0
  Zn  Zn3  4  0.1326  0.0000  0.5545  1.0
  Cd  Cd4  4  0.2285  0.0000  0.3529  1.0
]