data_[In2O2F4]
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 [C2]
_cell_length_a [6.3192]
_cell_length_b [5.2144]
_cell_length_c [3.9678]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.0338]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [InOF2]
_chemical_formula_sum '[In2 O2 F4]'
_cell_volume [129.4597]
_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  0.0000  0.9942  0.0000  1
  O  O1  2  0.0000  0.1472  0.5000  1
  F  F2  4  0.1934  0.6838  0.8758  1
]