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 [C2/m]
_cell_length_a [15.4061]
_cell_length_b [3.9951]
_cell_length_c [10.2549]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0123]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [In2SCl2]
_chemical_formula_sum '[In8 S4 Cl8]'
_cell_volume [631.1732]
_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  0.0475  0.5000  0.7508  1.0
  In  In1  4  0.2139  0.5000  0.2506  1.0
  S  S2  4  0.0452  0.0000  0.2455  1.0
  Cl  Cl3  4  0.1571  0.5000  0.5766  1.0
  Cl  Cl4  4  0.1620  0.5000  0.9210  1.0
]