data_[Cr2O4F2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  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 [4.9497]
_cell_length_b [5.0018]
_cell_length_c [5.1392]
_cell_angle_alpha [92.7799]
_cell_angle_beta [117.0053]
_cell_angle_gamma [118.0705]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CrO2F]
_chemical_formula_sum '[Cr2 O4 F2]'
_cell_volume [94.2982]
_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
[
  Cr  Cr0  1  0.5262  0.7101  0.3306  1
  Cr  Cr1  1  0.5571  0.2664  0.8326  1
  O  O2  1  0.0817  0.4477  0.0994  1
  O  O3  1  0.4668  0.9336  0.5938  1
  O  O4  1  0.6664  0.5418  0.5896  1
  O  O5  1  0.6747  0.6559  0.1066  1
  F  F6  1  0.0691  0.1501  0.6078  1
  F  F7  1  0.4730  0.0519  0.1124  1
]