data_[In12H8F20]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.8754]
_cell_length_b [8.1218]
_cell_length_c [5.7563]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2851]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [In3H2F5]
_chemical_formula_sum '[In12 H8 F20]'
_cell_volume [615.9393]
_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  0.1551  0.3246  0.4091  1
  In  In1  4  0.0000  0.1358  0.7500  1
  H  H2  8  0.1000  0.2397  0.6778  1
  F  F3  8  0.0804  0.0886  0.1532  1
  F  F4  8  0.1719  0.4352  0.0826  1
  F  F5  4  0.0000  0.3965  0.2500  1
]