# generated using pymatgen
data_CuO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.86678490
_cell_length_b   6.86678490
_cell_length_c   11.14573000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   156.89159090
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuO2
_chemical_formula_sum   'Cu2 O4'
_cell_volume   206.26436636
_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  0.62246600  0.62246600  0.75000000  1.0
  Cu  Cu1  1  0.37753400  0.37753400  0.25000000  1.0
  O  O2  1  0.12786400  0.12786400  0.64325000  1.0
  O  O3  1  0.87213600  0.87213600  0.14325000  1.0
  O  O4  1  0.87213600  0.87213600  0.35675000  1.0
  O  O5  1  0.12786400  0.12786400  0.85675000  1.0