data_[Na6In8Bi8]
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 [Immm]
_cell_length_a [3.3634]
_cell_length_b [5.2917]
_cell_length_c [36.4886]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Na3(InBi)4]
_chemical_formula_sum '[Na6 In8 Bi8]'
_cell_volume [649.4195]
_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  4  0.0000  0.0000  0.3656  1.0
  Na  Na1  2  0.0000  0.5000  0.5000  1.0
  In  In2  4  0.0000  0.0000  0.1785  1.0
  In  In3  4  0.0000  0.5000  0.0428  1.0
  Bi  Bi4  4  0.0000  0.0000  0.0902  1.0
  Bi  Bi5  4  0.0000  0.5000  0.2212  1.0
]