# generated using pymatgen
data_Li(CuO)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.67570384
_cell_length_b   5.67570384
_cell_length_c   12.36554590
_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)2
_chemical_formula_sum   'Li8 Cu16 O16'
_cell_volume   398.33892350
_cell_formula_units_Z   8
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  0.75485429  0.50000000  0.42788119  1
  Li  Li1  1  0.74514571  -0.00000000  0.07211881  1
  Li  Li2  1  0.00000000  0.74514571  0.92788119  1
  Li  Li3  1  0.00000000  0.25485429  0.92788119  1
  Li  Li4  1  0.25485429  -0.00000000  0.07211881  1
  Li  Li5  1  0.50000000  0.24514571  0.57211881  1
  Li  Li6  1  0.50000000  0.75485429  0.57211881  1
  Li  Li7  1  0.24514571  0.50000000  0.42788119  1
  Cu  Cu8  1  0.74576407  0.50000000  0.74334727  1
  Cu  Cu9  1  0.75204105  -0.00000000  0.40286331  1
  Cu  Cu10  1  0.50000000  0.25423593  0.25665273  1
  Cu  Cu11  1  0.25204105  0.50000000  0.09713669  1
  Cu  Cu12  1  0.00000000  0.24576407  0.24334727  1
  Cu  Cu13  1  0.50000000  0.74795895  0.90286331  1
  Cu  Cu14  1  0.50000000  0.74576407  0.25665273  1
  Cu  Cu15  1  0.24795895  -0.00000000  0.40286331  1
  Cu  Cu16  1  0.75423593  -0.00000000  0.75665273  1
  Cu  Cu17  1  0.25423593  0.50000000  0.74334727  1
  Cu  Cu18  1  0.74795895  0.50000000  0.09713669  1
  Cu  Cu19  1  0.50000000  0.25204105  0.90286331  1
  Cu  Cu20  1  0.24576407  -0.00000000  0.75665273  1
  Cu  Cu21  1  0.00000000  0.75423593  0.24334727  1
  Cu  Cu22  1  0.00000000  0.24795895  0.59713669  1
  Cu  Cu23  1  0.00000000  0.75204105  0.59713669  1
  O  O24  1  0.00000000  0.75946549  0.39304499  1
  O  O25  1  0.50000000  0.74053451  0.10695501  1
  O  O26  1  0.25932649  -0.00000000  0.90730414  1
  O  O27  1  0.75946549  -0.00000000  0.60695501  1
  O  O28  1  0.00000000  0.25932649  0.09269586  1
  O  O29  1  0.50000000  0.25946549  0.10695501  1
  O  O30  1  0.25946549  0.50000000  0.89304499  1
  O  O31  1  0.74053451  0.50000000  0.89304499  1
  O  O32  1  0.00000000  0.74067351  0.09269586  1
  O  O33  1  0.75932649  0.50000000  0.59269586  1
  O  O34  1  0.24053451  -0.00000000  0.60695501  1
  O  O35  1  0.74067351  -0.00000000  0.90730414  1
  O  O36  1  0.50000000  0.24067351  0.40730414  1
  O  O37  1  0.50000000  0.75932649  0.40730414  1
  O  O38  1  0.24067351  0.50000000  0.59269586  1
  O  O39  1  0.00000000  0.24053451  0.39304499  1
