data_[Na12Al4Bi8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Al  1.6100  1.2500  0.6750
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [6.6454]
_cell_length_b [15.5715]
_cell_length_c [7.0485]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Na3AlBi2]
_chemical_formula_sum '[Na12 Al4 Bi8]'
_cell_volume [729.3723]
_cell_formula_units_Z [4]
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  8  0.2277  0.3250  0.0000  1.0
  Na  Na1  4  0.0000  0.5000  0.2500  1.0
  Al  Al2  4  0.0000  0.0000  0.2500  1.0
  Bi  Bi3  8  0.2049  0.1154  0.0000  1.0
]