data_[In6F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2]
_cell_length_a [5.6427]
_cell_length_b [19.1300]
_cell_length_c [9.6711]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1124]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [3]
_chemical_formula_structural [In3F4]
_chemical_formula_sum '[In6 F8]'
_cell_volume [1043.9349]
_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  0.2162  0.4509  0.3457  1
  In  In1  2  0.2752  0.4801  0.9471  1
  In  In2  2  0.3245  0.6038  0.6570  1
  F  F3  2  0.0537  0.5230  0.1419  1
  F  F4  2  0.2796  0.5651  0.4286  1
  F  F5  2  0.3618  0.4795  0.7219  1
  F  F6  1  0.0000  0.4073  0.0000  1
  F  F7  1  0.5000  0.3880  0.0000  1
]