data_[In2H6S2Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  H  2.2000  0.2500  0.0000
  S  2.5800  1.0000  0.8800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.7288]
_cell_length_b [7.3548]
_cell_length_c [7.7760]
_cell_angle_alpha [92.7919]
_cell_angle_beta [93.2819]
_cell_angle_gamma [92.0426]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [InH3SCl3]
_chemical_formula_sum '[In2 H6 S2 Cl6]'
_cell_volume [383.4537]
_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  1  0.0022  0.4884  0.9676  1.0
  In  In1  1  0.9635  0.9800  0.4878  1.0
  H  H2  1  0.2334  0.3888  0.4146  1.0
  H  H3  1  0.4111  0.0019  0.9032  1.0
  H  H4  1  0.4833  0.5150  0.3271  1.0
  H  H5  1  0.5158  0.3046  0.4797  1.0
  H  H6  1  0.5427  0.0048  0.1385  1.0
  H  H7  1  0.5453  0.7264  0.9960  1.0
  S  S8  1  0.4244  0.4709  0.4859  1.0
  S  S9  1  0.5951  0.9686  0.9744  1.0
  Cl  Cl10  1  0.0009  0.2794  0.3161  1.0
  Cl  Cl11  1  0.0988  0.8163  0.2416  1.0
  Cl  Cl12  1  0.1518  0.1494  0.7283  1.0
  Cl  Cl13  1  0.5151  0.5332  0.0179  1.0
  Cl  Cl14  1  0.6017  0.0196  0.4665  1.0
  Cl  Cl15  1  0.9321  0.6967  0.6521  1.0
]