data_[In5Cl8]
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]
_cell_length_a [8.1715]
_cell_length_b [17.7499]
_cell_length_c [13.1634]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.4671]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [3]
_chemical_formula_structural [In5Cl8]
_chemical_formula_sum '[In5 Cl8]'
_cell_volume [1856.7794]
_cell_formula_units_Z [1]
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  2  0.4580  0.4499  0.7366  1
  In  In1  1  0.0000  0.5019  0.5000  1
  In  In2  1  0.5000  0.5067  0.5000  1
  In  In3  1  0.5000  0.5533  0.0000  1
  Cl  Cl4  2  0.1643  0.4237  0.4126  1
  Cl  Cl5  2  0.1997  0.5786  0.6178  1
  Cl  Cl6  2  0.2958  0.4553  0.8920  1
  Cl  Cl7  2  0.3537  0.5616  0.1620  1
]