data_[In4Sn4Bi12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Sn  1.9600  1.4500  0.8300
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [12.1031]
_cell_length_b [4.3138]
_cell_length_c [12.1357]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [InSnBi3]
_chemical_formula_sum '[In4 Sn4 Bi12]'
_cell_volume [633.6133]
_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
[
  In  In0  4  0.1080  0.2500  0.3555  1
  Sn  Sn1  4  0.2466  0.7500  0.4979  1
  Bi  Bi2  4  0.1077  0.7500  0.8563  1
  Bi  Bi3  4  0.1080  0.2500  0.6429  1
  Bi  Bi4  4  0.1117  0.7500  0.1399  1
]