data_[Zr8Cd4Bi4]
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
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [I2_12_12_1]
_cell_length_a [6.3185]
_cell_length_b [7.6458]
_cell_length_c [7.7745]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [24]
_chemical_formula_structural [Zr2CdBi]
_chemical_formula_sum '[Zr8 Cd4 Bi4]'
_cell_volume [375.5839]
_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
[
  Zr  Zr0  4  0.0000  0.2500  0.2979  1.0
  Zr  Zr1  4  0.2500  0.0571  0.0000  1.0
  Cd  Cd2  4  0.2500  0.4508  0.0000  1.0
  Bi  Bi3  4  0.0000  0.2500  0.6957  1.0
]