data_[Cu2Se2O8F2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.2993]
_cell_length_b [5.5163]
_cell_length_c [6.6877]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.4327]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CuSeO4F]
_chemical_formula_sum '[Cu2 Se2 O8 F2]'
_cell_volume [191.6209]
_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
[
  Cu  Cu0  2  0.2991  0.7500  0.5495  1
  Se  Se1  2  0.1360  0.2500  0.2763  1
  O  O2  4  0.3459  0.0111  0.3251  1
  O  O3  2  0.0516  0.2500  0.5279  1
  O  O4  2  0.1993  0.7500  0.8030  1
  F  F5  2  0.1433  0.2500  0.0094  1
]