data_[In10Bi2I16]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [10.3591]
_cell_length_b [10.3591]
_cell_length_c [10.4265]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [In5BiI8]
_chemical_formula_sum '[In10 Bi2 I16]'
_cell_volume [1118.8861]
_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  8  0.1389  0.7376  0.8648  1
  In  In1  2  0.0000  0.0000  0.5000  1
  Bi  Bi2  2  0.0000  0.5000  0.2500  1
  I  I3  8  0.0662  0.6748  0.5299  1
  I  I4  8  0.0674  0.7928  0.1803  1
]