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 [Cm]
_cell_length_a [19.2719]
_cell_length_b [3.6586]
_cell_length_c [16.6830]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [InF]
_chemical_formula_sum '[In6 F6]'
_cell_volume [1176.2964]
_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  2  0.1152  0.5000  0.4545  1
  In  In1  2  0.2722  0.5000  0.5506  1
  In  In2  2  0.4543  0.5000  0.5291  1
  F  F3  2  0.0771  0.0000  0.5350  1
  F  F4  2  0.3100  0.0000  0.4811  1
  F  F5  2  0.4946  0.0000  0.4498  1
]