# generated using pymatgen
data_CuO2F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.51330377
_cell_length_b   6.51330377
_cell_length_c   6.51330377
_cell_angle_alpha   152.39798668
_cell_angle_beta   135.37794542
_cell_angle_gamma   53.27728138
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuO2F
_chemical_formula_sum   'Cu2 O4 F2'
_cell_volume   89.46957164
_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  0.94481200  0.35151000  0.59330200  1.0
  Cu  Cu1  1  0.24179100  0.64849000  0.59330200  1.0
  O  O2  1  0.82014800  0.55512400  0.26502500  1.0
  O  O3  1  0.70990100  0.44487600  0.26502500  1.0
  O  O4  1  0.20444500  0.94255900  0.26188600  1.0
  O  O5  1  0.31932800  0.05744100  0.26188600  1.0
  F  F6  1  0.17084100  0.24611400  0.92472700  1.0
  F  F7  1  0.67861400  0.75388600  0.92472700  1.0