data_[Zn1Cd3]
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 [Pmm2]
_cell_length_a [3.0735]
_cell_length_b [5.3751]
_cell_length_c [5.1278]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [ZnCd3]
_chemical_formula_sum '[Zn1 Cd3]'
_cell_volume [84.7115]
_cell_formula_units_Z [1]
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  0.0000  0.5000  0.6715  1.0
  Cd  Cd1  1  0.0000  0.0000  0.9910  1.0
  Cd  Cd2  1  0.5000  0.0000  0.4982  1.0
  Cd  Cd3  1  0.5000  0.5000  0.1726  1.0
]