data_[In8S10]
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
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.0191]
_cell_length_b [9.3226]
_cell_length_c [19.2963]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [In4S5]
_chemical_formula_sum '[In8 S10]'
_cell_volume [1442.5726]
_cell_formula_units_Z [2]
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  0.2245  0.3154  0.6113  1
  In  In1  2  0.0162  0.0000  0.5388  1
  In  In2  2  0.4070  0.0000  0.5808  1
  S  S3  4  0.1165  0.3181  0.3911  1
  S  S4  4  0.1990  0.2149  0.4791  1
  S  S5  2  0.4769  0.0000  0.4152  1
]