# generated using pymatgen
data_Li2CuPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.38854700
_cell_length_b   6.24568507
_cell_length_c   10.08389900
_cell_angle_alpha   90.10927880
_cell_angle_beta   90.17723034
_cell_angle_gamma   90.39453463
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CuPO4
_chemical_formula_sum   'Li8 Cu4 P4 O16'
_cell_volume   339.36500977
_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  0.15473700  0.00126500  0.74540000  1
  Li  Li1  1  0.15520900  0.00042200  0.24638300  1
  Li  Li2  1  0.32843000  0.75419900  0.49589200  1
  Li  Li3  1  0.32775200  0.75117200  0.99720500  1
  Li  Li4  1  0.67254200  0.74609700  0.24564900  1
  Li  Li5  1  0.67261800  0.74656600  0.74551200  1
  Li  Li6  1  0.84572200  0.49889500  0.49516700  1
  Li  Li7  1  0.67397000  0.25227400  0.24480000  1
  Cu  Cu8  1  0.82657500  0.50187000  0.99790300  1
  Cu  Cu9  1  0.66744500  0.26011400  0.74509500  1
  Cu  Cu10  1  0.33745900  0.24264400  0.49656400  1
  Cu  Cu11  1  0.32728000  0.24794200  0.00000100  1
  P  P12  1  0.82751200  0.99301500  0.00246700  1
  P  P13  1  0.82639400  0.99289800  0.49681400  1
  P  P14  1  0.17420900  0.50471600  0.25209000  1
  P  P15  1  0.17624900  0.50902700  0.74669700  1
  O  O16  1  0.82783200  0.99155800  0.65167700  1
  O  O17  1  0.09898900  0.98606900  0.44410400  1
  O  O18  1  0.82343600  0.99518700  0.15651000  1
  O  O19  1  0.09790000  0.98619800  0.94756600  1
  O  O20  1  0.68232600  0.79210100  0.44474700  1
  O  O21  1  0.67833700  0.79735900  0.94634500  1
  O  O22  1  0.31087700  0.70647200  0.19596400  1
  O  O23  1  0.31902400  0.70808500  0.69306400  1
  O  O24  1  0.18267200  0.51439400  0.90109900  1
  O  O25  1  0.90390600  0.51416800  0.69318800  1
  O  O26  1  0.17634400  0.51200700  0.40622600  1
  O  O27  1  0.89618900  0.50055400  0.20619600  1
  O  O28  1  0.29690000  0.29290600  0.70121000  1
  O  O29  1  0.31007800  0.29567800  0.20625600  1
  O  O30  1  0.70375500  0.20320700  0.44334900  1
  O  O31  1  0.69733100  0.20094100  0.95145200  1
