data_[In8S4Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  S  2.5800  1.0000  0.8800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [12.4192]
_cell_length_b [7.4191]
_cell_length_c [7.2295]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.2163]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [In2SCl2]
_chemical_formula_sum '[In8 S4 Cl8]'
_cell_volume [655.5576]
_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  0.1208  0.5127  0.2853  1
  In  In1  4  0.4700  0.1646  0.1685  1
  S  S2  4  0.4063  0.6523  0.5942  1
  Cl  Cl3  4  0.0090  0.2495  0.0039  1
  Cl  Cl4  4  0.3409  0.1356  0.4643  1
]