data_[In8S2Cl10]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [8.3933]
_cell_length_b [9.8536]
_cell_length_c [7.4399]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [In4SCl5]
_chemical_formula_sum '[In8 S2 Cl10]'
_cell_volume [615.3087]
_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  0.0000  0.2294  0.4840  1.0
  In  In1  4  0.2111  0.5000  0.9017  1.0
  S  S2  2  0.0000  0.0000  0.3256  1.0
  Cl  Cl3  8  0.2219  0.2053  0.7344  1.0
  Cl  Cl4  2  0.0000  0.5000  0.5254  1.0
]