# generated using pymatgen
data_LiCu3O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.71884006
_cell_length_b   5.71884006
_cell_length_c   6.39877898
_cell_angle_alpha   61.06010107
_cell_angle_beta   61.06010107
_cell_angle_gamma   85.24523883
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCu3O4
_chemical_formula_sum   'Li2 Cu6 O8'
_cell_volume   157.11426323
_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  0.00000000  0.00000000  1
  Li  Li1  1  0.00000000  0.00000000  0.50000000  1
  Cu  Cu2  1  0.00000000  0.50000000  0.00000000  1
  Cu  Cu3  1  0.50000000  0.50000000  0.00000000  1
  Cu  Cu4  1  0.00000000  0.50000000  0.50000000  1
  Cu  Cu5  1  0.50000000  0.00000000  0.00000000  1
  Cu  Cu6  1  0.50000000  0.50000000  0.50000000  1
  Cu  Cu7  1  0.50000000  0.00000000  0.50000000  1
  O  O8  1  0.25046400  0.25336900  0.04328500  1
  O  O9  1  0.66111700  0.18311800  0.09751800  1
  O  O10  1  0.25336900  0.25046400  0.54328500  1
  O  O11  1  0.81688200  0.33888300  0.40248200  1
  O  O12  1  0.18311800  0.66111700  0.59751800  1
  O  O13  1  0.74663100  0.74953600  0.45671500  1
  O  O14  1  0.33888300  0.81688200  0.90248200  1
  O  O15  1  0.74953600  0.74663100  0.95671500  1
