data_[In14Sn8Bi2]
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 [13.0908]
_cell_length_b [6.1427]
_cell_length_c [9.9205]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.4367]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [In7Sn4Bi]
_chemical_formula_sum '[In14 Sn8 Bi2]'
_cell_volume [687.7935]
_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  0.0022  0.0000  0.3381  1.0
  In  In1  4  0.2458  0.5000  0.9991  1.0
  In  In2  4  0.2469  0.5000  0.6612  1.0
  In  In3  2  0.0000  0.5000  0.0000  1.0
  Sn  Sn4  4  0.0054  0.5000  0.6710  1.0
  Sn  Sn5  4  0.2479  0.5000  0.3328  1.0
  Bi  Bi6  2  0.0000  0.0000  0.0000  1.0
]