# generated using pymatgen
data_Li2CuPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.40400000
_cell_length_b   6.21800547
_cell_length_c   10.06759111
_cell_angle_alpha   90.10337612
_cell_angle_beta   90.02128476
_cell_angle_gamma   90.28040741
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CuPO4
_chemical_formula_sum   'Li8 Cu4 P4 O16'
_cell_volume   338.28759246
_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  0.15520000  0.00157100  0.74623900  1
  Li  Li1  1  0.15495700  0.99970200  0.24613900  1
  Li  Li2  1  0.32674900  0.75294000  0.49661000  1
  Li  Li3  1  0.32874400  0.75378000  0.99584100  1
  Li  Li4  1  0.67204200  0.74840800  0.74525800  1
  Li  Li5  1  0.84542100  0.50013400  0.99637500  1
  Li  Li6  1  0.84482200  0.49898700  0.49610800  1
  Li  Li7  1  0.67343200  0.25169400  0.24527900  1
  Cu  Cu8  1  0.66450200  0.74203600  0.24886500  1
  Cu  Cu9  1  0.66433500  0.25850600  0.74624800  1
  Cu  Cu10  1  0.33826600  0.24350800  0.49722500  1
  Cu  Cu11  1  0.33134800  0.24347800  0.99779100  1
  P  P12  1  0.82809100  0.99714900  0.99946900  1
  P  P13  1  0.82806000  0.99451400  0.49919000  1
  P  P14  1  0.17231600  0.50040000  0.24925800  1
  P  P15  1  0.17179300  0.50934700  0.74953100  1
  O  O16  1  0.83138100  0.99507000  0.65384000  1
  O  O17  1  0.09814700  0.98544600  0.44459800  1
  O  O18  1  0.83108300  0.00404200  0.15401000  1
  O  O19  1  0.09826400  0.98823300  0.94443800  1
  O  O20  1  0.68130500  0.78948200  0.45401000  1
  O  O21  1  0.68355400  0.79655800  0.94715000  1
  O  O22  1  0.29808400  0.70777400  0.19173200  1
  O  O23  1  0.31727400  0.70788200  0.69615100  1
  O  O24  1  0.16927000  0.51306000  0.90406500  1
  O  O25  1  0.90166900  0.51526700  0.69444400  1
  O  O26  1  0.16940800  0.51193100  0.40378000  1
  O  O27  1  0.90202600  0.48694600  0.19469100  1
  O  O28  1  0.29471000  0.29380600  0.70262100  1
  O  O29  1  0.31669200  0.29446400  0.20599100  1
  O  O30  1  0.70376600  0.20309000  0.44398200  1
  O  O31  1  0.70328800  0.21079700  0.95166300  1
