data_[Na20Sn24Bi2]
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 [I-43m]
_cell_length_a [11.2089]
_cell_length_b [11.2089]
_cell_length_c [11.2089]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [217]
_chemical_formula_structural [Na10Sn12Bi]
_chemical_formula_sum '[Na20 Sn24 Bi2]'
_cell_volume [1408.2930]
_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
[
  Na  Na0  12  0.0000  0.2500  0.5000  1
  Na  Na1  8  0.1914  0.1914  0.8086  1
  Sn  Sn2  24  0.0923  0.0923  0.2822  1
  Bi  Bi3  2  0.0000  0.0000  0.0000  1
]