# generated using pymatgen
data_Li2CuPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96467777
_cell_length_b   4.96467777
_cell_length_c   12.02971200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999689
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CuPO4
_chemical_formula_sum   'Li6 Cu3 P3 O12'
_cell_volume   256.78402796
_cell_formula_units_Z   3
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  0.33804400  0.91337500  0.58404400  1
  Li  Li1  1  0.08662500  0.42466900  0.91737700  1
  Li  Li2  1  0.57533100  0.66195600  0.25071000  1
  Li  Li3  1  0.42466900  0.08662500  0.08262300  1
  Li  Li4  1  0.66195600  0.57533100  0.74929000  1
  Li  Li5  1  0.91337500  0.33804400  0.41595600  1
  Cu  Cu6  1  0.00000000  0.32064400  0.16666700  1
  Cu  Cu7  1  0.67935600  0.67935600  0.50000000  1
  Cu  Cu8  1  0.32064400  0.00000000  0.83333300  1
  P  P9  1  0.00000000  0.23244500  0.66666700  1
  P  P10  1  0.23244500  0.00000000  0.33333300  1
  P  P11  1  0.76755500  0.76755500  0.00000000  1
  O  O12  1  0.09949400  0.81400500  0.97258600  1
  O  O13  1  0.08649700  0.45126400  0.56521500  1
  O  O14  1  0.36476800  0.91350300  0.23188200  1
  O  O15  1  0.18599500  0.28548900  0.30591900  1
  O  O16  1  0.28548900  0.18599500  0.69408100  1
  O  O17  1  0.71451100  0.90050600  0.63925300  1
  O  O18  1  0.54873600  0.63523200  0.89854800  1
  O  O19  1  0.63523200  0.54873600  0.10145200  1
  O  O20  1  0.45126400  0.08649700  0.43478500  1
  O  O21  1  0.90050600  0.71451100  0.36074700  1
  O  O22  1  0.81400500  0.09949400  0.02741400  1
  O  O23  1  0.91350300  0.36476800  0.76811800  1
