data_[Y64Zn16Bi16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Zn  1.6500  1.3500  0.8800
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [14.0329]
_cell_length_b [14.0329]
_cell_length_c [14.0329]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [216]
_chemical_formula_structural [Y4ZnBi]
_chemical_formula_sum '[Y64 Zn16 Bi16]'
_cell_volume [2763.3677]
_cell_formula_units_Z [16]
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
[
  Y  Y0  24  0.0000  0.0000  0.3148  1
  Y  Y1  24  0.0604  0.2500  0.7500  1
  Y  Y2  16  0.1336  0.1336  0.1336  1
  Zn  Zn3  16  0.1528  0.1528  0.3472  1
  Bi  Bi4  16  0.0955  0.4045  0.5955  1
]