# generated using pymatgen
data_Li2CuP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.31921100
_cell_length_b   5.01269900
_cell_length_c   9.20769968
_cell_angle_alpha   61.19020131
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CuP2O7
_chemical_formula_sum   'Li8 Cu4 P8 O28'
_cell_volume   538.66226624
_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  0.11200800  0.95242500  0.86471400  1
  Li  Li1  1  0.88799200  0.04757500  0.13528600  1
  Li  Li2  1  0.29593300  0.56886800  0.17325200  1
  Li  Li3  1  0.79593300  0.43113200  0.32674800  1
  Li  Li4  1  0.38799200  0.95242500  0.36471400  1
  Li  Li5  1  0.70406700  0.43113200  0.82674800  1
  Li  Li6  1  0.20406700  0.56886800  0.67325200  1
  Li  Li7  1  0.61200800  0.04757500  0.63528600  1
  Cu  Cu8  1  0.14936900  0.94957200  0.25512700  1
  Cu  Cu9  1  0.64936900  0.05042800  0.24487300  1
  Cu  Cu10  1  0.35063100  0.94957200  0.75512700  1
  Cu  Cu11  1  0.85063100  0.05042800  0.74487300  1
  P  P12  1  0.82973500  0.74598500  0.52758400  1
  P  P13  1  0.17026500  0.25401500  0.47241600  1
  P  P14  1  0.52459600  0.51644200  0.27824100  1
  P  P15  1  0.02459600  0.48355800  0.22175900  1
  P  P16  1  0.32973500  0.25401500  0.97241600  1
  P  P17  1  0.97540400  0.51644200  0.77824100  1
  P  P18  1  0.67026500  0.74598500  0.02758400  1
  P  P19  1  0.47540400  0.48355800  0.72175900  1
  O  O20  1  0.94715600  0.68951200  0.57955400  1
  O  O21  1  0.10759800  0.73101100  0.13501300  1
  O  O22  1  0.55284400  0.68951200  0.07955400  1
  O  O23  1  0.70942300  0.44118200  0.04612600  1
  O  O24  1  0.29057700  0.55881800  0.95387400  1
  O  O25  1  0.44715600  0.31048800  0.92044600  1
  O  O26  1  0.89240200  0.26898900  0.86498700  1
  O  O27  1  0.27883700  0.18279400  0.84314400  1
  O  O28  1  0.67824400  0.01044300  0.85275000  1
  O  O29  1  0.96816300  0.76596900  0.83079700  1
  O  O30  1  0.07854000  0.38531500  0.79068500  1
  O  O31  1  0.57854000  0.61468500  0.70931500  1
  O  O32  1  0.46816300  0.23403100  0.66920300  1
  O  O33  1  0.32175600  0.98955700  0.14725000  1
  O  O34  1  0.17824400  0.98955700  0.64725000  1
  O  O35  1  0.39240200  0.73101100  0.63501300  1
  O  O36  1  0.77883700  0.81720600  0.65685600  1
  O  O37  1  0.79057700  0.44118200  0.54612600  1
  O  O38  1  0.20942300  0.55881800  0.45387400  1
  O  O39  1  0.05284400  0.31048800  0.42044600  1
  O  O40  1  0.60759800  0.26898900  0.36498700  1
  O  O41  1  0.82175600  0.01044300  0.35275000  1
  O  O42  1  0.22116300  0.18279400  0.34314400  1
  O  O43  1  0.53183700  0.76596900  0.33079700  1
  O  O44  1  0.42146000  0.38531500  0.29068500  1
  O  O45  1  0.92146000  0.61468500  0.20931500  1
  O  O46  1  0.03183700  0.23403100  0.16920300  1
  O  O47  1  0.72116300  0.81720600  0.15685600  1
