data_[In2H6F6]
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 [P2/c]
_cell_length_a [7.4887]
_cell_length_b [4.6205]
_cell_length_c [9.9248]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.8962]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [InH3F3]
_chemical_formula_sum '[In2 H6 F6]'
_cell_volume [288.3447]
_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  0.5000  0.4325  0.2500  1
  H  H1  4  0.1439  0.4958  0.3936  1
  H  H2  2  0.0000  0.0800  0.2500  1
  F  F3  4  0.2163  0.3960  0.8568  1
  F  F4  2  0.5000  0.0768  0.7500  1
]