data_[In4Bi4I16]
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 [C2/c]
_cell_length_a [9.7437]
_cell_length_b [18.9253]
_cell_length_c [7.9893]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.4574]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [InBiI4]
_chemical_formula_sum '[In4 Bi4 I16]'
_cell_volume [1214.7707]
_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  4  0.0000  0.4227  0.2500  1.0
  Bi  Bi1  4  0.0000  0.0746  0.7500  1.0
  I  I2  8  0.2169  0.1827  0.7473  1.0
  I  I3  8  0.2248  0.0573  0.2280  1.0
]