data_[In1Sn2Bi1I8]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.4447]
_cell_length_b [9.4558]
_cell_length_c [7.8155]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.7429]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [InSn2BiI8]
_chemical_formula_sum '[In1 Sn2 Bi1 I8]'
_cell_volume [550.1310]
_cell_formula_units_Z [1]
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  1  0.0000  0.5000  0.0000  1.0
  Sn  Sn1  2  0.5000  0.2505  0.5000  1.0
  Bi  Bi2  1  0.0000  0.0000  0.0000  1.0
  I  I3  4  0.2512  0.2295  0.1621  1.0
  I  I4  2  0.2389  0.0000  0.6706  1.0
  I  I5  2  0.2758  0.5000  0.6474  1.0
]