data_[In6F6]
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 [Pmn2_1]
_cell_length_a [10.8481]
_cell_length_b [4.0792]
_cell_length_c [6.0548]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [InF]
_chemical_formula_sum '[In6 F6]'
_cell_volume [267.9371]
_cell_formula_units_Z [6]
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  4  0.1547  0.1444  0.2584  1.0
  In  In1  2  0.0000  0.5811  0.7829  1.0
  F  F2  4  0.1632  0.2510  0.6442  1.0
  F  F3  2  0.0000  0.7358  0.4140  1.0
]