data_[Si46Bi8]
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 [Pm-3n]
_cell_length_a [10.2354]
_cell_length_b [10.2354]
_cell_length_c [10.2354]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [223]
_chemical_formula_structural [Si23Bi4]
_chemical_formula_sum '[Si46 Bi8]'
_cell_volume [1072.2954]
_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
[
  Si  Si0  24  0.0000  0.3108  0.1166  1
  Si  Si1  16  0.1834  0.1834  0.1834  1
  Si  Si2  6  0.0000  0.5000  0.2500  1
  Bi  Bi3  6  0.0000  0.2500  0.5000  1
  Bi  Bi4  2  0.0000  0.0000  0.0000  1
]