# generated using pymatgen
data_LiAl2(CuO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.01863200
_cell_length_b   3.01863150
_cell_length_c   14.07470700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99998353
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiAl2(CuO3)2
_chemical_formula_sum   'Li1 Al2 Cu2 O6'
_cell_volume   111.06835461
_cell_formula_units_Z   1
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  0.00000000  0.62058400  1
  Al  Al1  1  0.00000000  0.00000000  0.44988200  1
  Al  Al2  1  0.00000000  0.00000000  0.02307300  1
  Cu  Cu3  1  0.66666500  0.33333200  0.81338700  1
  Cu  Cu4  1  0.33333400  0.66666800  0.23241100  1
  O  O5  1  0.33333400  0.66666800  0.39402000  1
  O  O6  1  0.66666500  0.33333200  0.95572200  1
  O  O7  1  0.66666500  0.33333200  0.53261000  1
  O  O8  1  0.33333400  0.66666800  0.08799800  1
  O  O9  1  0.00000000  0.00000000  0.24826500  1
  O  O10  1  0.00000000  0.00000000  0.75514500  1
