data_[Cu6O2F10]
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 [P-1]
_cell_length_a [5.3853]
_cell_length_b [5.7409]
_cell_length_c [7.2333]
_cell_angle_alpha [78.6129]
_cell_angle_beta [74.9089]
_cell_angle_gamma [74.8562]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Cu3OF5]
_chemical_formula_sum '[Cu6 O2 F10]'
_cell_volume [206.3952]
_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  0.3118  0.3088  0.1611  1.0
  Cu  Cu1  2  0.3403  0.3434  0.6698  1.0
  Cu  Cu2  1  0.0000  0.0000  0.0000  1.0
  Cu  Cu3  1  0.0000  0.0000  0.5000  1.0
  O  O4  2  0.0920  0.0919  0.2048  1.0
  F  F5  2  0.0148  0.5976  0.1758  1.0
  F  F6  2  0.2279  0.2239  0.4880  1.0
  F  F7  2  0.3101  0.7187  0.4842  1.0
  F  F8  2  0.3663  0.9569  0.8570  1.0
  F  F9  2  0.4601  0.4645  0.8493  1.0
]