# generated using pymatgen
data_Li3CuO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.63940865
_cell_length_b   8.63940865
_cell_length_c   3.55558451
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3CuO3
_chemical_formula_sum   'Li12 Cu4 O12'
_cell_volume   265.38662984
_cell_formula_units_Z   4
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
  Li  Li0  1  0.33409388  0.66590612  0.50000000  1
  Li  Li1  1  0.83409388  0.83409388  0.00000000  1
  Li  Li2  1  0.66590612  0.33409388  0.50000000  1
  Li  Li3  1  0.16590612  0.16590612  0.00000000  1
  Li  Li4  1  0.14105892  0.60288873  -0.00000000  1
  Li  Li5  1  0.10288873  0.35894108  0.50000000  1
  Li  Li6  1  0.89711127  0.64105892  0.50000000  1
  Li  Li7  1  0.85894108  0.39711127  0.00000000  1
  Li  Li8  1  0.35894108  0.10288873  0.50000000  1
  Li  Li9  1  0.64105892  0.89711127  0.50000000  1
  Li  Li10  1  0.60288873  0.14105892  -0.00000000  1
  Li  Li11  1  0.39711127  0.85894108  0.00000000  1
  Cu  Cu12  1  0.61378924  0.61378924  0.00000000  1
  Cu  Cu13  1  0.11378924  0.88621076  0.50000000  1
  Cu  Cu14  1  0.88621076  0.11378924  0.50000000  1
  Cu  Cu15  1  0.38621076  0.38621076  -0.00000000  1
  O  O16  1  0.60193436  0.39806564  -0.00000000  1
  O  O17  1  0.89806564  0.89806564  0.50000000  1
  O  O18  1  0.39806564  0.60193436  -0.00000000  1
  O  O19  1  0.10193436  0.10193436  0.50000000  1
  O  O20  1  0.38714400  0.17636398  -0.00000000  1
  O  O21  1  0.67636398  0.11285600  0.50000000  1
  O  O22  1  0.32363602  0.88714400  0.50000000  1
  O  O23  1  0.61285600  0.82363602  0.00000000  1
  O  O24  1  0.11285600  0.67636398  0.50000000  1
  O  O25  1  0.88714400  0.32363602  0.50000000  1
  O  O26  1  0.17636398  0.38714400  0.00000000  1
  O  O27  1  0.82363602  0.61285600  -0.00000000  1
