# generated using pymatgen
data_LiCuPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29474100
_cell_length_b   8.03778300
_cell_length_c   8.48359217
_cell_angle_alpha   75.81082454
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCuPO4
_chemical_formula_sum   'Li4 Cu4 P4 O16'
_cell_volume   350.02967569
_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  0.86198900  0.03641800  0.07138700  1
  Li  Li1  1  0.32687500  0.49234400  0.28701200  1
  Li  Li2  1  0.13801100  0.03641800  0.57138700  1
  Li  Li3  1  0.67312500  0.49234400  0.78701200  1
  Cu  Cu4  1  0.34665800  0.12198500  0.21140800  1
  Cu  Cu5  1  0.83335700  0.63549200  0.37671200  1
  Cu  Cu6  1  0.65334200  0.12198500  0.71140800  1
  Cu  Cu7  1  0.16664300  0.63549200  0.87671200  1
  P  P8  1  0.66568700  0.75268100  0.00829500  1
  P  P9  1  0.82294000  0.26012500  0.33131100  1
  P  P10  1  0.33431300  0.75268100  0.50829500  1
  P  P11  1  0.17706000  0.26012500  0.83131100  1
  O  O12  1  0.19711000  0.13154900  0.00097300  1
  O  O13  1  0.38731000  0.69887800  0.04152300  1
  O  O14  1  0.70395200  0.17766200  0.19987200  1
  O  O15  1  0.10519200  0.29591500  0.28972800  1
  O  O16  1  0.78715700  0.78481400  0.16616700  1
  O  O17  1  0.67703300  0.42638600  0.33400200  1
  O  O18  1  0.80289000  0.13154900  0.50097300  1
  O  O19  1  0.19140300  0.61480200  0.44376800  1
  O  O20  1  0.28846100  0.93214600  0.39164300  1
  O  O21  1  0.61269000  0.69887800  0.54152300  1
  O  O22  1  0.29604800  0.17766200  0.69987200  1
  O  O23  1  0.89480800  0.29591500  0.78972800  1
  O  O24  1  0.21284300  0.78481400  0.66616700  1
  O  O25  1  0.32296700  0.42638600  0.83400200  1
  O  O26  1  0.80859700  0.61480200  0.94376800  1
  O  O27  1  0.71153900  0.93214600  0.89164300  1
