data_[Zn8Bi8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [5.5380]
_cell_length_b [6.7500]
_cell_length_c [10.4382]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [ZnBi]
_chemical_formula_sum '[Zn8 Bi8]'
_cell_volume [390.1946]
_cell_formula_units_Z [8]
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  4  0.0000  0.1931  0.5715  1
  Zn  Zn1  2  0.0000  0.0000  0.3530  1
  Zn  Zn2  2  0.0000  0.0000  0.8098  1
  Bi  Bi3  4  0.0000  0.2508  0.0833  1
  Bi  Bi4  2  0.0000  0.5000  0.3711  1
  Bi  Bi5  2  0.0000  0.5000  0.7579  1
]