data_[Zn18Cd6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [10.0360]
_cell_length_b [4.9901]
_cell_length_c [8.8867]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.5722]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zn3Cd]
_chemical_formula_sum '[Zn18 Cd6]'
_cell_volume [428.7135]
_cell_formula_units_Z [6]
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
[
  Zn  Zn0  8  0.1859  0.2489  0.7329  1.0
  Zn  Zn1  4  0.0562  0.5000  0.2242  1.0
  Zn  Zn2  4  0.1877  0.5000  0.9999  1.0
  Zn  Zn3  2  0.0000  0.5000  0.5000  1.0
  Cd  Cd4  4  0.1170  0.0000  0.4114  1.0
  Cd  Cd5  2  0.0000  0.0000  0.0000  1.0
]