data_[Zn3Cd3]
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 [Pm]
_cell_length_a [3.0421]
_cell_length_b [4.9392]
_cell_length_c [7.7419]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.6382]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [ZnCd]
_chemical_formula_sum '[Zn3 Cd3]'
_cell_volume [115.2962]
_cell_formula_units_Z [3]
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  1  0.2441  0.5000  0.4510  1.0
  Zn  Zn1  1  0.3262  0.0000  0.6721  1.0
  Zn  Zn2  1  0.9651  0.0000  0.9838  1.0
  Cd  Cd3  1  0.5632  0.5000  0.1160  1.0
  Cd  Cd4  1  0.6734  0.0000  0.3418  1.0
  Cd  Cd5  1  0.8948  0.5000  0.7686  1.0
]