data_[Na12Sn8Bi12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sn  1.9600  1.4500  0.8300
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.1041]
_cell_length_b [12.8656]
_cell_length_c [15.8478]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Na3Sn2Bi3]
_chemical_formula_sum '[Na12 Sn8 Bi12]'
_cell_volume [1040.6759]
_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  0.0000  0.0545  0.6167  1.0
  Na  Na1  4  0.0000  0.2896  0.7500  1.0
  Sn  Sn2  8  0.0000  0.2475  0.0979  1.0
  Bi  Bi3  8  0.0000  0.3923  0.5578  1.0
  Bi  Bi4  4  0.0000  0.3998  0.2500  1.0
]