data_[Cu2O1F3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.4060]
_cell_length_b [2.9974]
_cell_length_c [4.5957]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.6688]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Cu2OF3]
_chemical_formula_sum '[Cu2 O1 F3]'
_cell_volume [60.5692]
_cell_formula_units_Z [1]
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
[
  Cu  Cu0  1  0.5112  0.0000  0.5104  1
  Cu  Cu1  1  0.9798  0.5000  0.9830  1
  O  O2  1  0.7796  0.0000  0.8189  1
  F  F3  1  0.2226  0.0000  0.1850  1
  F  F4  1  0.2796  0.5000  0.6840  1
  F  F5  1  0.7272  0.5000  0.3187  1
]