data_[In12Sn8Bi16]
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/c]
_cell_length_a [16.5638]
_cell_length_b [8.8227]
_cell_length_c [7.5659]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.6588]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [In3(SnBi2)2]
_chemical_formula_sum '[In12 Sn8 Bi16]'
_cell_volume [1102.0181]
_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  8  0.1358  0.1325  0.3388  1
  In  In1  4  0.0000  0.4661  0.2500  1
  Sn  Sn2  8  0.1983  0.1964  0.7371  1
  Bi  Bi3  8  0.0344  0.1807  0.9624  1
  Bi  Bi4  8  0.1730  0.4740  0.9975  1
]