data_[In8I2Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  I  2.6600  1.4000  1.2733
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [9.5493]
_cell_length_b [10.1168]
_cell_length_c [6.6155]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [In4ICl3]
_chemical_formula_sum '[In8 I2 Cl6]'
_cell_volume [639.1085]
_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  0.1811  0.3565  0.4389  1
  In  In1  2  0.0000  0.1794  0.8745  1
  In  In2  2  0.0000  0.8329  0.4723  1
  I  I3  2  0.0000  0.7400  0.9923  1
  Cl  Cl4  4  0.2299  0.3539  0.9988  1
  Cl  Cl5  2  0.0000  0.1055  0.2703  1
]