data_[In4Sb4I16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Sb  2.0500  1.4500  0.8300
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.6902]
_cell_length_b [6.3108]
_cell_length_c [10.3292]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.7918]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [InSbI4]
_chemical_formula_sum '[In4 Sb4 I16]'
_cell_volume [1235.0593]
_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  0.2184  0.0000  0.2900  1
  Sb  Sb1  4  0.1023  0.0000  0.6747  1
  I  I2  4  0.0500  0.0000  0.3389  1
  I  I3  4  0.1054  0.5000  0.6519  1
  I  I4  4  0.1459  0.0000  0.9613  1
  I  I5  4  0.2433  0.5000  0.3505  1
]