# generated using pymatgen
data_Li(CuO)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.96486900
_cell_length_b   3.96486900
_cell_length_c   9.15589800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li(CuO)3
_chemical_formula_sum   'Li2 Cu6 O6'
_cell_volume   143.93242127
_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  0.00000000  0.50000000  0.74513500  1
  Li  Li1  1  0.50000000  0.00000000  0.25486500  1
  Cu  Cu2  1  0.00000000  0.00000000  0.00000000  1
  Cu  Cu3  1  0.00000000  0.00000000  0.50000000  1
  Cu  Cu4  1  0.50000000  0.00000000  0.78948900  1
  Cu  Cu5  1  0.00000000  0.50000000  0.21051100  1
  Cu  Cu6  1  0.50000000  0.50000000  0.00000000  1
  Cu  Cu7  1  0.50000000  0.50000000  0.50000000  1
  O  O8  1  0.00000000  0.00000000  0.20316200  1
  O  O9  1  0.00000000  0.00000000  0.79683800  1
  O  O10  1  0.00000000  0.50000000  0.51229300  1
  O  O11  1  0.50000000  0.00000000  0.48770700  1
  O  O12  1  0.50000000  0.50000000  0.20316200  1
  O  O13  1  0.50000000  0.50000000  0.79683800  1
