data_[In6Cl6]
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 [Imm2]
_cell_length_a [4.2232]
_cell_length_b [15.0179]
_cell_length_c [6.4039]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [InCl]
_chemical_formula_sum '[In6 Cl6]'
_cell_volume [406.1530]
_cell_formula_units_Z [6]
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  0.1563  0.7213  1.0
  In  In1  2  0.0000  0.0000  0.2637  1.0
  Cl  Cl2  4  0.0000  0.2045  0.1709  1.0
  Cl  Cl3  2  0.0000  0.5000  0.4539  1.0
]