# generated using pymatgen
data_Ba2Li(CuO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.17094443
_cell_length_b   8.24857138
_cell_length_c   7.12783779
_cell_angle_alpha   72.81694445
_cell_angle_beta   59.23575949
_cell_angle_gamma   47.94729606
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2Li(CuO2)3
_chemical_formula_sum   'Ba4 Li2 Cu6 O12'
_cell_volume   343.08943444
_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
  Ba  Ba0  1  0.75000000  0.75000000  0.75000000  1
  Ba  Ba1  1  0.25000000  0.25000000  0.25000000  1
  Ba  Ba2  1  0.23022000  0.76978000  0.23022000  1
  Ba  Ba3  1  0.76978000  0.23022000  0.76978000  1
  Li  Li4  1  0.66578700  0.66578700  0.33421300  1
  Li  Li5  1  0.33421300  0.33421300  0.66578700  1
  Cu  Cu6  1  0.99586300  0.31006700  0.00413700  1
  Cu  Cu7  1  0.68993300  0.00413700  0.31006700  1
  Cu  Cu8  1  0.00413700  0.68993300  0.99586300  1
  Cu  Cu9  1  0.31006700  0.99586300  0.68993300  1
  Cu  Cu10  1  0.67910100  0.32089900  0.32089900  1
  Cu  Cu11  1  0.32089900  0.67910100  0.67910100  1
  O  O12  1  0.89724200  0.29524500  0.32267200  1
  O  O13  1  0.48484100  0.32267200  0.29524500  1
  O  O14  1  0.67732800  0.51515900  0.10275800  1
  O  O15  1  0.70475500  0.10275800  0.51515900  1
  O  O16  1  0.10275800  0.70475500  0.67732800  1
  O  O17  1  0.51515900  0.67732800  0.70475500  1
  O  O18  1  0.92162100  0.69371700  0.30628300  1
  O  O19  1  0.07837900  0.30628300  0.69371700  1
  O  O20  1  0.32267200  0.48484100  0.89724200  1
  O  O21  1  0.29524500  0.89724200  0.48484100  1
  O  O22  1  0.69371700  0.92162100  0.07837900  1
  O  O23  1  0.30628300  0.07837900  0.92162100  1
