# generated using pymatgen
data_CuO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.81268200
_cell_length_b   5.69945123
_cell_length_c   5.68513532
_cell_angle_alpha   86.66801922
_cell_angle_beta   46.74235538
_cell_angle_gamma   46.58962540
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuO2
_chemical_formula_sum   'Cu1 O2'
_cell_volume   83.76318655
_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  0.50000000  0.50000000  0.50000000  1.0
  O  O1  1  0.10598800  0.89401200  0.10598800  1.0
  O  O2  1  0.89401200  0.10598800  0.89401200  1.0