# generated using pymatgen
data_Li2CuPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07807600
_cell_length_b   6.25441700
_cell_length_c   10.66922900
_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   338.85903260
_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  0.17685200  0.49671200  0.09314500  1
  Li  Li1  1  0.32314800  0.49671200  0.59314500  1
  Li  Li2  1  0.32314800  0.00328800  0.59314500  1
  Li  Li3  1  0.17685200  0.00328800  0.09314500  1
  Li  Li4  1  0.67685200  0.99671200  0.40685500  1
  Li  Li5  1  0.82314800  0.99671200  0.90685500  1
  Li  Li6  1  0.82314800  0.50328800  0.90685500  1
  Li  Li7  1  0.67685200  0.50328800  0.40685500  1
  Cu  Cu8  1  0.16838000  0.75000000  0.33875300  1
  Cu  Cu9  1  0.33162000  0.75000000  0.83875300  1
  Cu  Cu10  1  0.66838000  0.25000000  0.16124700  1
  Cu  Cu11  1  0.83162000  0.25000000  0.66124700  1
  P  P12  1  0.67002600  0.75000000  0.15716100  1
  P  P13  1  0.82997400  0.75000000  0.65716100  1
  P  P14  1  0.32997400  0.25000000  0.84283900  1
  P  P15  1  0.17002600  0.25000000  0.34283900  1
  O  O16  1  0.78515700  0.54741300  0.09067800  1
  O  O17  1  0.71484300  0.54741300  0.59067800  1
  O  O18  1  0.36502200  0.75000000  0.14850000  1
  O  O19  1  0.74420200  0.75000000  0.79811000  1
  O  O20  1  0.75579800  0.75000000  0.29811000  1
  O  O21  1  0.13497800  0.75000000  0.64850000  1
  O  O22  1  0.71484300  0.95258700  0.59067800  1
  O  O23  1  0.78515700  0.95258700  0.09067800  1
  O  O24  1  0.28515700  0.04741300  0.40932200  1
  O  O25  1  0.21484300  0.04741300  0.90932200  1
  O  O26  1  0.63497800  0.25000000  0.85150000  1
  O  O27  1  0.86502200  0.25000000  0.35150000  1
  O  O28  1  0.25579800  0.25000000  0.20189000  1
  O  O29  1  0.24420200  0.25000000  0.70189000  1
  O  O30  1  0.21484300  0.45258700  0.90932200  1
  O  O31  1  0.28515700  0.45258700  0.40932200  1
