# generated using pymatgen
data_Li2CuPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.20837100
_cell_length_b   6.22843600
_cell_length_c   10.61615800
_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   'Li8 Cu4 P4 O16'
_cell_volume   344.38822325
_cell_formula_units_Z   4
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  0.80590600  0.00207400  0.33870800  1
  Li  Li1  1  0.69409400  0.00207400  0.83870800  1
  Li  Li2  1  0.80590600  0.49792600  0.33870800  1
  Li  Li3  1  0.69409400  0.49792600  0.83870800  1
  Li  Li4  1  0.19409400  0.99792600  0.66129200  1
  Li  Li5  1  0.30590600  0.99792600  0.16129200  1
  Li  Li6  1  0.19409400  0.50207400  0.66129200  1
  Li  Li7  1  0.30590600  0.50207400  0.16129200  1
  Cu  Cu8  1  0.24652100  0.75000000  0.39248800  1
  Cu  Cu9  1  0.25347900  0.75000000  0.89248800  1
  Cu  Cu10  1  0.74652100  0.25000000  0.10751200  1
  Cu  Cu11  1  0.75347900  0.25000000  0.60751200  1
  P  P12  1  0.18609300  0.25000000  0.91259700  1
  P  P13  1  0.31390700  0.25000000  0.41259700  1
  P  P14  1  0.68609300  0.75000000  0.58740300  1
  P  P15  1  0.81390700  0.75000000  0.08740300  1
  O  O16  1  0.76246000  0.75000000  0.44711800  1
  O  O17  1  0.11071600  0.75000000  0.10121400  1
  O  O18  1  0.80219400  0.95032400  0.65755800  1
  O  O19  1  0.61071600  0.25000000  0.39878600  1
  O  O20  1  0.30219400  0.04967600  0.84244200  1
  O  O21  1  0.38928400  0.75000000  0.60121400  1
  O  O22  1  0.88928400  0.25000000  0.89878600  1
  O  O23  1  0.23754000  0.25000000  0.55288200  1
  O  O24  1  0.19780600  0.04967600  0.34244200  1
  O  O25  1  0.26246000  0.25000000  0.05288200  1
  O  O26  1  0.30219400  0.45032400  0.84244200  1
  O  O27  1  0.19780600  0.45032400  0.34244200  1
  O  O28  1  0.80219400  0.54967600  0.65755800  1
  O  O29  1  0.69780600  0.54967600  0.15755800  1
  O  O30  1  0.73754000  0.75000000  0.94711800  1
  O  O31  1  0.69780600  0.95032400  0.15755800  1
