# generated using pymatgen
data_Li2Cu3(P2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.04286300
_cell_length_b   7.24131300
_cell_length_c   9.29191554
_cell_angle_alpha   72.34335163
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Cu3(P2O7)2
_chemical_formula_sum   'Li4 Cu6 P8 O28'
_cell_volume   515.67560045
_cell_formula_units_Z   2
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  0.58900700  0.29793800  0.12687400  1
  Li  Li1  1  0.41099300  0.70206200  0.87312600  1
  Li  Li2  1  0.08900700  0.70206200  0.37312600  1
  Li  Li3  1  0.91099300  0.29793800  0.62687400  1
  Cu  Cu4  1  0.62234900  0.19198500  0.47987900  1
  Cu  Cu5  1  0.12234900  0.80801500  0.02012100  1
  Cu  Cu6  1  0.37765100  0.80801500  0.52012100  1
  Cu  Cu7  1  0.87765100  0.19198500  0.97987900  1
  Cu  Cu8  1  0.00000000  0.00000000  0.50000000  1
  Cu  Cu9  1  0.50000000  0.00000000  0.00000000  1
  P  P10  1  0.53834300  0.40620100  0.71676500  1
  P  P11  1  0.21262400  0.10822300  0.19827100  1
  P  P12  1  0.96165700  0.40620100  0.21676500  1
  P  P13  1  0.46165700  0.59379900  0.28323500  1
  P  P14  1  0.78737600  0.89177700  0.80172900  1
  P  P15  1  0.71262400  0.89177700  0.30172900  1
  P  P16  1  0.28737600  0.10822300  0.69827100  1
  P  P17  1  0.03834300  0.59379900  0.78323500  1
  O  O18  1  0.64214500  0.68277800  0.30958300  1
  O  O19  1  0.59643900  0.30293300  0.87749400  1
  O  O20  1  0.08942000  0.01542100  0.11534000  1
  O  O21  1  0.14214500  0.31722200  0.19041700  1
  O  O22  1  0.28656100  0.99067500  0.86921000  1
  O  O23  1  0.00344900  0.61980400  0.19497500  1
  O  O24  1  0.49655100  0.61980400  0.69497500  1
  O  O25  1  0.88302800  0.85784400  0.37678700  1
  O  O26  1  0.99655100  0.38019600  0.80502500  1
  O  O27  1  0.58942000  0.98457900  0.38466000  1
  O  O28  1  0.65840000  0.37508200  0.59705500  1
  O  O29  1  0.15840000  0.62491800  0.90294500  1
  O  O30  1  0.50344900  0.38019600  0.30502500  1
  O  O31  1  0.71343900  0.00932500  0.13079000  1
  O  O32  1  0.09643900  0.69706700  0.62250600  1
  O  O33  1  0.61697200  0.85784400  0.87678700  1
  O  O34  1  0.85785500  0.68277800  0.80958300  1
  O  O35  1  0.90356100  0.30293300  0.37749400  1
  O  O36  1  0.41058000  0.01542100  0.61534000  1
  O  O37  1  0.21343900  0.99067500  0.36921000  1
  O  O38  1  0.78656100  0.00932500  0.63079000  1
  O  O39  1  0.91058000  0.98457900  0.88466000  1
  O  O40  1  0.84160000  0.37508200  0.09705500  1
  O  O41  1  0.35785500  0.31722200  0.69041700  1
  O  O42  1  0.34160000  0.62491800  0.40294500  1
  O  O43  1  0.11697200  0.14215600  0.62321300  1
  O  O44  1  0.40356100  0.69706700  0.12250600  1
  O  O45  1  0.38302800  0.14215600  0.12321300  1
