data_[Na8Bi8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [10.2828]
_cell_length_b [10.2828]
_cell_length_c [5.0560]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [NaBi]
_chemical_formula_sum '[Na8 Bi8]'
_cell_volume [534.5969]
_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
[
  Na  Na0  4  0.0000  0.3324  0.0000  1
  Na  Na1  4  0.1775  0.1775  0.5000  1
  Bi  Bi2  4  0.1640  0.5000  0.5000  1
  Bi  Bi3  4  0.3308  0.3308  0.0000  1
]