# generated using pymatgen
data_Cu2OF2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.48957433
_cell_length_b   6.48957433
_cell_length_c   6.48957433
_cell_angle_alpha   127.84107100
_cell_angle_beta   127.84107100
_cell_angle_gamma   76.88262850
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2OF2
_chemical_formula_sum   'Cu4 O2 F4'
_cell_volume   165.48398173
_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  1  0.87500000  0.12500000  0.75000000  1.0
  Cu  Cu1  1  0.37500000  0.12500000  0.25000000  1.0
  Cu  Cu2  1  0.87500000  0.12500000  0.25000000  1.0
  Cu  Cu3  1  0.87500000  0.62500000  0.75000000  1.0
  O  O4  1  0.75000000  0.25000000  0.50000000  1.0
  O  O5  1  0.00000000  0.00000000  0.00000000  1.0
  F  F6  1  0.25414500  0.25414500  0.00000000  1.0
  F  F7  1  0.00414500  0.50414500  0.50000000  1.0
  F  F8  1  0.74585500  0.74585500  0.00000000  1.0
  F  F9  1  0.49585500  0.99585500  0.50000000  1.0