# generated using pymatgen
data_Li6CuO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.63328300
_cell_length_b   6.63328300
_cell_length_c   4.58955900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li6CuO4
_chemical_formula_sum   'Li12 Cu2 O8'
_cell_volume   201.94263082
_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
  Li  Li0  1  0.78167800  0.78167800  0.50000000  1
  Li  Li1  1  0.21832200  0.78167800  0.50000000  1
  Li  Li2  1  0.50000000  0.00000000  0.43749100  1
  Li  Li3  1  0.50000000  0.00000000  0.93749100  1
  Li  Li4  1  0.78167800  0.21832200  0.50000000  1
  Li  Li5  1  0.21832200  0.21832200  0.50000000  1
  Li  Li6  1  0.28167800  0.28167800  0.00000000  1
  Li  Li7  1  0.71832200  0.28167800  0.00000000  1
  Li  Li8  1  0.00000000  0.50000000  0.06250900  1
  Li  Li9  1  0.00000000  0.50000000  0.56250900  1
  Li  Li10  1  0.28167800  0.71832200  0.00000000  1
  Li  Li11  1  0.71832200  0.71832200  0.00000000  1
  Cu  Cu12  1  0.00000000  0.00000000  0.00000000  1
  Cu  Cu13  1  0.50000000  0.50000000  0.50000000  1
  O  O14  1  0.50000000  0.76757800  0.69728900  1
  O  O15  1  0.26757800  0.00000000  0.19728900  1
  O  O16  1  0.73242200  0.00000000  0.19728900  1
  O  O17  1  0.50000000  0.23242200  0.69728900  1
  O  O18  1  0.00000000  0.26757800  0.80271100  1
  O  O19  1  0.76757800  0.50000000  0.30271100  1
  O  O20  1  0.23242200  0.50000000  0.30271100  1
  O  O21  1  0.00000000  0.73242200  0.80271100  1
