data_[In2S4Cl2O16]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.2390]
_cell_length_b [5.4029]
_cell_length_c [8.2197]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.3511]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [InS2ClO8]
_chemical_formula_sum '[In2 S4 Cl2 O16]'
_cell_volume [393.7113]
_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  0.0000  0.0000  0.0000  1
  S  S1  4  0.2051  0.5000  0.2135  1
  Cl  Cl2  2  0.0000  0.0000  0.5000  1
  O  O3  8  0.1081  0.2764  0.1791  1
  O  O4  4  0.1874  0.0000  0.8889  1
  O  O5  4  0.2194  0.0000  0.5983  1
]