# generated using pymatgen
data_Li2NiP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99833901
_cell_length_b   8.81515523
_cell_length_c   13.16293312
_cell_angle_alpha   81.89168886
_cell_angle_beta   79.04916760
_cell_angle_gamma   90.00832587
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2NiP2O7
_chemical_formula_sum   'Li8 Ni4 P8 O28'
_cell_volume   563.50390862
_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  0.23824300  0.43648500  0.40872300  1
  Li  Li1  1  0.73827400  0.93657600  0.40861100  1
  Li  Li2  1  0.90094600  0.31179200  0.09170300  1
  Li  Li3  1  0.40109000  0.81182700  0.09156500  1
  Li  Li4  1  0.60254600  0.18478800  0.90838500  1
  Li  Li5  1  0.10274100  0.68487300  0.90845800  1
  Li  Li6  1  0.26128800  0.06447800  0.59164100  1
  Li  Li7  1  0.76131100  0.56423400  0.59148600  1
  Ni  Ni8  1  0.25008600  0.75069700  0.49979000  1
  Ni  Ni9  1  0.00192600  0.99831100  0.00008600  1
  Ni  Ni10  1  0.75030200  0.25042800  0.50035600  1
  Ni  Ni11  1  0.50155300  0.49839800  0.00020200  1
  P  P12  1  0.22400000  0.39030400  0.63036900  1
  P  P13  1  0.72380100  0.89030700  0.63003900  1
  P  P14  1  0.10284000  0.35866400  0.87041500  1
  P  P15  1  0.60342600  0.85863800  0.87016000  1
  P  P16  1  0.40021800  0.13774300  0.13023300  1
  P  P17  1  0.90027500  0.63775400  0.13019600  1
  P  P18  1  0.27673500  0.11016900  0.37019500  1
  P  P19  1  0.77671900  0.61012500  0.37013700  1
  O  O20  1  0.06782900  0.37456600  0.75035000  1
  O  O21  1  0.56829100  0.87417700  0.75012800  1
  O  O22  1  0.43406800  0.12250600  0.25051100  1
  O  O23  1  0.93409000  0.62251600  0.25045300  1
  O  O24  1  0.28476000  0.49289300  0.88193400  1
  O  O25  1  0.78517800  0.99284100  0.88170600  1
  O  O26  1  0.41730500  0.25610800  0.61926700  1
  O  O27  1  0.91675100  0.75607500  0.61832300  1
  O  O28  1  0.08434500  0.24489800  0.38069500  1
  O  O29  1  0.58444300  0.74489200  0.38058900  1
  O  O30  1  0.21983400  0.00308000  0.11852900  1
  O  O31  1  0.71973200  0.50306000  0.11852700  1
  O  O32  1  0.80753800  0.36849300  0.92807200  1
  O  O33  1  0.30820500  0.86842600  0.92782000  1
  O  O34  1  0.98792900  0.38014200  0.57210800  1
  O  O35  1  0.48737600  0.88046100  0.57192000  1
  O  O36  1  0.51272900  0.12040200  0.42853900  1
  O  O37  1  0.01269700  0.62028200  0.42842300  1
  O  O38  1  0.69537500  0.12831600  0.07250700  1
  O  O39  1  0.19537200  0.62834500  0.07249100  1
  O  O40  1  0.62859700  0.45310100  0.40146500  1
  O  O41  1  0.12874300  0.95318700  0.40140100  1
  O  O42  1  0.28421600  0.29495200  0.09928300  1
  O  O43  1  0.78428100  0.79488100  0.09921200  1
  O  O44  1  0.21881700  0.20123500  0.90106500  1
  O  O45  1  0.71952600  0.70108400  0.90081900  1
  O  O46  1  0.87002200  0.04792400  0.59974400  1
  O  O47  1  0.37002500  0.54798700  0.59976100  1
