data_[Na8In20Bi12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  In  1.7800  1.5500  0.9400
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.0928]
_cell_length_b [14.2625]
_cell_length_c [7.1905]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.0393]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Na2In5Bi3]
_chemical_formula_sum '[Na8 In20 Bi12]'
_cell_volume [1227.9866]
_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  0.1137  0.2776  0.1023  1
  In  In1  8  0.1093  0.1555  0.6421  1
  In  In2  8  0.2110  0.0579  0.0212  1
  In  In3  4  0.0000  0.4963  0.2500  1
  Bi  Bi4  8  0.1537  0.3752  0.5470  1
  Bi  Bi5  4  0.0000  0.0618  0.2500  1
]