data_[In10S14]
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 [12.9654]
_cell_length_b [3.8293]
_cell_length_c [11.5808]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.3971]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [In5S7]
_chemical_formula_sum '[In10 S14]'
_cell_volume [571.3857]
_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  0.1273  0.5000  0.4432  1.0
  In  In1  4  0.2010  0.5000  0.8524  1.0
  In  In2  2  0.0000  0.0000  0.0000  1.0
  S  S3  4  0.0678  0.0000  0.8056  1.0
  S  S4  4  0.1524  0.5000  0.0713  1.0
  S  S5  4  0.2402  0.0000  0.3601  1.0
  S  S6  2  0.0000  0.0000  0.5000  1.0
]