data_[In4S8]
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 [C2/m]
_cell_length_a [12.6336]
_cell_length_b [3.8076]
_cell_length_c [7.3968]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.2635]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [InS2]
_chemical_formula_sum '[In4 S8]'
_cell_volume [333.7954]
_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  0.1930  0.0000  0.2974  1.0
  S  S1  4  0.0883  0.5000  0.0511  1.0
  S  S2  4  0.1566  0.0000  0.6147  1.0
]