# generated using pymatgen
data_Li3CuPO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02822800
_cell_length_b   5.35379200
_cell_length_c   15.78701800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3CuPO5
_chemical_formula_sum   'Li12 Cu4 P4 O20'
_cell_volume   424.98789551
_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  0.00165400  0.66332300  0.59625900  1
  Li  Li1  1  0.00165400  0.16332300  0.90374100  1
  Li  Li2  1  0.50087800  0.32963300  0.99800700  1
  Li  Li3  1  0.50087800  0.82963300  0.50199300  1
  Li  Li4  1  0.49749000  0.33332700  0.80029200  1
  Li  Li5  1  0.49749000  0.83332700  0.69970800  1
  Li  Li6  1  0.50165400  0.33667700  0.40374100  1
  Li  Li7  1  0.50165400  0.83667700  0.09625900  1
  Li  Li8  1  0.00087800  0.67036700  0.00199300  1
  Li  Li9  1  0.00087800  0.17036700  0.49800700  1
  Li  Li10  1  0.99749000  0.16667300  0.30029200  1
  Li  Li11  1  0.99749000  0.66667300  0.19970800  1
  Cu  Cu12  1  0.00854200  0.16566400  0.70612700  1
  Cu  Cu13  1  0.00854200  0.66566400  0.79387300  1
  Cu  Cu14  1  0.50854200  0.33433600  0.20612700  1
  Cu  Cu15  1  0.50854200  0.83433600  0.29387300  1
  P  P16  1  0.99720100  0.16401400  0.09784500  1
  P  P17  1  0.99720100  0.66401400  0.40215500  1
  P  P18  1  0.49720100  0.33598600  0.59784500  1
  P  P19  1  0.49720100  0.83598600  0.90215500  1
  O  O20  1  0.10880600  0.33579400  0.80361700  1
  O  O21  1  0.10880600  0.83579400  0.69638300  1
  O  O22  1  0.09985500  0.39083700  0.40118900  1
  O  O23  1  0.09985500  0.89083700  0.09881100  1
  O  O24  1  0.10324600  0.30877200  0.01886700  1
  O  O25  1  0.10324600  0.80877200  0.48113300  1
  O  O26  1  0.09179700  0.29926000  0.18071200  1
  O  O27  1  0.09179700  0.79926000  0.31928800  1
  O  O28  1  0.18553100  0.33225500  0.59560700  1
  O  O29  1  0.18553100  0.83225500  0.90439300  1
  O  O30  1  0.60880600  0.16420600  0.30361700  1
  O  O31  1  0.60880600  0.66420600  0.19638300  1
  O  O32  1  0.59985500  0.60916300  0.59881100  1
  O  O33  1  0.59985500  0.10916300  0.90118900  1
  O  O34  1  0.60324600  0.19122800  0.51886700  1
  O  O35  1  0.60324600  0.69122800  0.98113300  1
  O  O36  1  0.59179700  0.20074000  0.68071200  1
  O  O37  1  0.59179700  0.70074000  0.81928800  1
  O  O38  1  0.68553100  0.16774500  0.09560700  1
  O  O39  1  0.68553100  0.66774500  0.40439300  1
