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 [Pmma]
_cell_length_a [4.5874]
_cell_length_b [9.7972]
_cell_length_c [19.2624]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [InF]
_chemical_formula_sum '[In6 F6]'
_cell_volume [865.7260]
_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  0.2500  0.2082  0.4243  1
  In  In1  2  0.2500  0.5000  0.4574  1
  F  F2  4  0.2500  0.1720  0.5405  1
  F  F3  2  0.2500  0.0000  0.3894  1
]