data_[In8Se8Cl8O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Se  2.5500  1.1500  1.0133
  Cl  3.1600  1.0000  0.7800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pbca]
_cell_length_a [7.1524]
_cell_length_b [17.2132]
_cell_length_c [7.3202]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [61]
_chemical_formula_structural [InSeClO3]
_chemical_formula_sum '[In8 Se8 Cl8 O24]'
_cell_volume [901.2259]
_cell_formula_units_Z [8]
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  8  0.0355  0.6579  0.2498  1
  Se  Se1  8  0.2151  0.1633  0.6764  1
  Cl  Cl2  8  0.2150  0.0538  0.1946  1
  O  O3  8  0.0201  0.1566  0.5416  1
  O  O4  8  0.0898  0.6575  0.5415  1
  O  O5  8  0.2144  0.2325  0.2146  1
]