data_[Zr8Cd10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [9.7844]
_cell_length_b [9.7844]
_cell_length_c [4.1792]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Zr4Cd5]
_chemical_formula_sum '[Zr8 Cd10]'
_cell_volume [400.0950]
_cell_formula_units_Z [2]
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
[
  Zr  Zr0  8  0.0000  0.3355  0.0000  1.0
  Cd  Cd1  8  0.1688  0.8312  0.5000  1.0
  Cd  Cd2  2  0.0000  0.0000  0.0000  1.0
]