data_[In2S10]
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 [P2_1/m]
_cell_length_a [3.7714]
_cell_length_b [14.7356]
_cell_length_c [7.2808]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.0810]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [InS5]
_chemical_formula_sum '[In2 S10]'
_cell_volume [404.5469]
_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  2  0.2160  0.2500  0.3522  1.0
  S  S1  4  0.1956  0.1806  0.0305  1.0
  S  S2  4  0.2151  0.0279  0.5478  1.0
  S  S3  2  0.2776  0.7500  0.4459  1.0
]