data_[Si8Bi8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P4/m]
_cell_length_a [12.2657]
_cell_length_b [12.2657]
_cell_length_c [4.4403]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [83]
_chemical_formula_structural [SiBi]
_chemical_formula_sum '[Si8 Bi8]'
_cell_volume [668.0256]
_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
[
  Si  Si0  4  0.1067  0.5696  0.0000  1
  Si  Si1  4  0.2261  0.4237  0.5000  1
  Bi  Bi2  4  0.1066  0.3416  0.0000  1
  Bi  Bi3  4  0.2177  0.6534  0.5000  1
]