data_[In6Bi2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Bi  2.0200  1.6000  1.0350
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.3779]
_cell_length_b [8.3411]
_cell_length_c [12.8774]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.7597]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [In3BiCl6]
_chemical_formula_sum '[In6 Bi2 Cl12]'
_cell_volume [673.8079]
_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  0.2933  0.0687  0.7652  1.0
  In  In1  2  0.5000  0.0000  0.5000  1.0
  Bi  Bi2  2  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  4  0.1003  0.0646  0.2338  1.0
  Cl  Cl4  4  0.2374  0.7231  0.0779  1.0
  Cl  Cl5  4  0.3550  0.1650  0.0415  1.0
]