data_[Cs4Zn4Cd16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [18.6514]
_cell_length_b [7.2321]
_cell_length_c [6.0792]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7468]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsZnCd4]
_chemical_formula_sum '[Cs4 Zn4 Cd16]'
_cell_volume [780.9982]
_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
[
  Cs  Cs0  4  0.2190  0.0000  0.1612  1.0
  Zn  Zn1  4  0.0392  0.5000  0.7344  1.0
  Cd  Cd2  8  0.0876  0.1987  0.5299  1.0
  Cd  Cd3  4  0.0000  0.1979  0.0000  1.0
  Cd  Cd4  4  0.1229  0.5000  0.2166  1.0
]