data_[In4O4F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.5663]
_cell_length_b [5.5663]
_cell_length_c [6.3024]
_cell_angle_alpha [111.4928]
_cell_angle_beta [111.4928]
_cell_angle_gamma [99.8068]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [InOF]
_chemical_formula_sum '[In4 O4 F4]'
_cell_volume [158.2529]
_cell_formula_units_Z [4]
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  1  0.0476  0.9443  0.5036  1.0
  In  In1  1  0.1977  0.7947  0.9906  1.0
  In  In2  1  0.4590  0.5532  0.5085  1.0
  In  In3  1  0.8058  0.2065  0.9986  1.0
  O  O4  1  0.1221  0.6113  0.2285  1.0
  O  O5  1  0.1382  0.1320  0.2786  1.0
  O  O6  1  0.3803  0.8791  0.7637  1.0
  O  O7  1  0.8597  0.8590  0.7176  1.0
  F  F8  1  0.1207  0.3658  0.7421  1.0
  F  F9  1  0.6150  0.3718  0.7440  1.0
  F  F10  1  0.6198  0.3685  0.2519  1.0
  F  F11  1  0.6265  0.8687  0.2430  1.0
]