data_[In18Sn4Bi8]
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 [C2/m]
_cell_length_a [9.6085]
_cell_length_b [5.7413]
_cell_length_c [16.0140]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.3410]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [In9(SnBi2)2]
_chemical_formula_sum '[In18 Sn4 Bi8]'
_cell_volume [876.1769]
_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  0.0264  0.0000  0.1014  1
  In  In1  4  0.0410  0.0000  0.2998  1
  In  In2  4  0.1431  0.5000  0.9330  1
  In  In3  4  0.1701  0.5000  0.5448  1
  In  In4  2  0.0000  0.0000  0.5000  1
  Sn  Sn5  4  0.1298  0.5000  0.7359  1
  Bi  Bi6  4  0.1964  0.5000  0.1336  1
  Bi  Bi7  4  0.2132  0.5000  0.3424  1
]