data_[In12Sn2Bi4]
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 [Amm2]
_cell_length_a [4.1162]
_cell_length_b [16.9399]
_cell_length_c [7.7732]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [In6SnBi2]
_chemical_formula_sum '[In12 Sn2 Bi4]'
_cell_volume [542.0097]
_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
[
  In  In0  4  0.0000  0.1382  0.8941  1.0
  In  In1  4  0.5000  0.2021  0.1835  1.0
  In  In2  2  0.0000  0.0000  0.2748  1.0
  In  In3  2  0.5000  0.0000  0.5884  1.0
  Sn  Sn4  2  0.5000  0.0000  0.9895  1.0
  Bi  Bi5  4  0.0000  0.1627  0.4961  1.0
]