data_[In8Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_12_12_1]
_cell_length_a [6.4982]
_cell_length_b [7.9549]
_cell_length_c [9.7451]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [19]
_chemical_formula_structural [InCl]
_chemical_formula_sum '[In8 Cl8]'
_cell_volume [503.7522]
_cell_formula_units_Z [8]
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  0.1424  0.4097  0.5045  1.0
  In  In1  4  0.2287  0.8388  0.4006  1.0
  Cl  Cl2  4  0.0039  0.1321  0.3024  1.0
  Cl  Cl3  4  0.0220  0.1047  0.6667  1.0
]