data_[In12H4O24]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [8.5776]
_cell_length_b [10.7782]
_cell_length_c [5.3947]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [In3HO6]
_chemical_formula_sum '[In12 H4 O24]'
_cell_volume [498.7425]
_cell_formula_units_Z [4]
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  0.2099  0.1245  0.4316  1
  In  In1  4  0.0000  0.3987  0.3907  1
  H  H2  4  0.0000  0.2424  0.0981  1
  O  O3  8  0.1394  0.2584  0.1452  1
  O  O4  8  0.1622  0.4822  0.6600  1
  O  O5  4  0.0000  0.0123  0.4174  1
  O  O6  4  0.0000  0.2180  0.6055  1
]