# generated using pymatgen
data_Li2CuPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.90534600
_cell_length_b   5.33748200
_cell_length_c   6.87832446
_cell_angle_alpha   87.78992007
_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   179.95567886
_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  0.96405900  0.08673200  0.17629700  1
  Li  Li1  1  0.49300100  0.20061100  0.48833700  1
  Li  Li2  1  0.99300100  0.79938900  0.51166300  1
  Li  Li3  1  0.46405900  0.91326800  0.82370300  1
  Cu  Cu4  1  0.53370600  0.33609200  0.00012600  1
  Cu  Cu5  1  0.03370600  0.66390800  0.99987400  1
  P  P6  1  0.99475700  0.27253200  0.73707800  1
  P  P7  1  0.49475700  0.72746800  0.26292200  1
  O  O8  1  0.13626400  0.14176700  0.91811800  1
  O  O9  1  0.10389200  0.15679200  0.55057800  1
  O  O10  1  0.67685100  0.22822400  0.74902700  1
  O  O11  1  0.05143300  0.56281700  0.73418200  1
  O  O12  1  0.55143300  0.43718300  0.26581800  1
  O  O13  1  0.17685100  0.77177600  0.25097300  1
  O  O14  1  0.60389200  0.84320800  0.44942200  1
  O  O15  1  0.63626400  0.85823300  0.08188200  1
