data_[In8H96C32Se16Cl24]
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
  C  2.5500  0.7000  0.3000
  Se  2.5500  1.1500  1.0133
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pbca]
_cell_length_a [11.6651]
_cell_length_b [11.7609]
_cell_length_c [18.3036]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [61]
_chemical_formula_structural [InH12C4Se2Cl3]
_chemical_formula_sum '[In8 H96 C32 Se16 Cl24]'
_cell_volume [2511.1064]
_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  0.0780  0.0719  0.4168  1
  H  H1  8  0.0165  0.1124  0.7215  1
  H  H2  8  0.0223  0.5831  0.4555  1
  H  H3  8  0.0263  0.1022  0.2314  1
  H  H4  8  0.0814  0.6712  0.7117  1
  H  H5  8  0.0904  0.0024  0.8864  1
  H  H6  8  0.0914  0.7140  0.8054  1
  H  H7  8  0.1205  0.6617  0.5777  1
  H  H8  8  0.1318  0.0579  0.1640  1
  H  H9  8  0.1322  0.6448  0.3992  1
  H  H10  8  0.1647  0.1701  0.2271  1
  H  H11  8  0.2335  0.1372  0.6069  1
  H  H12  8  0.2374  0.7268  0.5291  1
  C  C13  8  0.0702  0.6440  0.7683  1
  C  C14  8  0.1019  0.5669  0.4258  1
  C  C15  8  0.1171  0.0905  0.2191  1
  Se  Se16  8  0.1802  0.5212  0.7883  1
  C  C17  8  0.2097  0.6523  0.5602  1
  Se  Se18  8  0.2183  0.5168  0.4970  1
  Cl  Cl19  8  0.0123  0.6362  0.9598  1
  Cl  Cl20  8  0.1077  0.5900  0.1470  1
  Cl  Cl21  8  0.1564  0.2365  0.8862  1
]