# generated using pymatgen
data_Li2CuPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07350900
_cell_length_b   5.30863600
_cell_length_c   6.23335100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CuPO4
_chemical_formula_sum   'Li4 Cu2 P2 O8'
_cell_volume   167.88541389
_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  0.99855400  0.32448300  0.74971500  1
  Li  Li1  1  0.49855400  0.67551700  0.75028500  1
  Li  Li2  1  0.99855400  0.32448300  0.25028500  1
  Li  Li3  1  0.49855400  0.67551700  0.24971500  1
  Cu  Cu4  1  0.49838800  0.19050800  0.50000000  1
  Cu  Cu5  1  0.99838800  0.80949200  0.00000000  1
  P  P6  1  0.50273700  0.17773500  0.00000000  1
  P  P7  1  0.00273700  0.82226500  0.50000000  1
  O  O8  1  0.88988200  0.68342300  0.70211000  1
  O  O9  1  0.38988200  0.31657700  0.20211000  1
  O  O10  1  0.30783000  0.80378300  0.50000000  1
  O  O11  1  0.41417300  0.89668300  0.00000000  1
  O  O12  1  0.80783000  0.19621700  0.00000000  1
  O  O13  1  0.88988200  0.68342300  0.29789000  1
  O  O14  1  0.91417300  0.10331700  0.50000000  1
  O  O15  1  0.38988200  0.31657700  0.79789000  1
