# generated using pymatgen
data_Li2NiP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.15536282
_cell_length_b   9.98842729
_cell_length_c   8.77360533
_cell_angle_alpha   105.77037660
_cell_angle_beta   114.70379870
_cell_angle_gamma   71.07286511
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2NiP2O7
_chemical_formula_sum   'Li8 Ni4 P8 O28'
_cell_volume   532.05475716
_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  0.20658300  0.11273300  0.00823700  1
  Li  Li1  1  0.70641000  0.61268900  0.00816500  1
  Li  Li2  1  0.79366500  0.88727900  0.99179500  1
  Li  Li3  1  0.29349000  0.38722400  0.99175700  1
  Li  Li4  1  0.47805700  0.16226500  0.75514600  1
  Li  Li5  1  0.97787000  0.66218100  0.75511800  1
  Li  Li6  1  0.52218900  0.83780800  0.24490100  1
  Li  Li7  1  0.02203900  0.33776600  0.24492800  1
  Ni  Ni8  1  0.65230200  0.50546900  0.33282300  1
  Ni  Ni9  1  0.84765000  0.99453600  0.66712700  1
  Ni  Ni10  1  0.15223500  0.00536300  0.33292100  1
  Ni  Ni11  1  0.34752300  0.49458000  0.66708300  1
  P  P12  1  0.44369500  0.20530500  0.39651700  1
  P  P13  1  0.94374800  0.70522400  0.39654600  1
  P  P14  1  0.55629300  0.79477300  0.60345400  1
  P  P15  1  0.05622100  0.29470900  0.60348200  1
  P  P16  1  0.65233500  0.18538800  0.14298500  1
  P  P17  1  0.15227800  0.68534700  0.14296300  1
  P  P18  1  0.34777000  0.81462700  0.85705600  1
  P  P19  1  0.84765800  0.31460200  0.85703000  1
  O  O20  1  0.84356800  0.86421700  0.44256800  1
  O  O21  1  0.34345300  0.36425500  0.44249000  1
  O  O22  1  0.15645000  0.13580600  0.55743100  1
  O  O23  1  0.65645000  0.63581100  0.55743300  1
  O  O24  1  0.56738700  0.12698500  0.54749000  1
  O  O25  1  0.06705600  0.62674800  0.54738000  1
  O  O26  1  0.43301700  0.87323600  0.45261000  1
  O  O27  1  0.93250300  0.37315000  0.45248400  1
  O  O28  1  0.26951800  0.13078900  0.25705700  1
  O  O29  1  0.76950000  0.63080700  0.25699900  1
  O  O30  1  0.73053100  0.86921100  0.74298400  1
  O  O31  1  0.23041700  0.36918300  0.74290200  1
  O  O32  1  0.14906800  0.93774900  0.83895300  1
  O  O33  1  0.64897600  0.43769600  0.83890400  1
  O  O34  1  0.85095100  0.06222300  0.16111100  1
  O  O35  1  0.35093200  0.56227600  0.16101600  1
  O  O36  1  0.45720300  0.15586100  0.98782900  1
  O  O37  1  0.95713700  0.65583700  0.98782400  1
  O  O38  1  0.54288100  0.84417800  0.01220600  1
  O  O39  1  0.04278400  0.34415000  0.01216900  1
  O  O40  1  0.60898600  0.19891500  0.31474700  1
  O  O41  1  0.10907700  0.69891200  0.31489500  1
  O  O42  1  0.39104100  0.80112400  0.68521600  1
  O  O43  1  0.89101300  0.30104600  0.68522500  1
  O  O44  1  0.81885300  0.16787700  0.85355400  1
  O  O45  1  0.31890700  0.66793100  0.85356600  1
  O  O46  1  0.18106900  0.83208700  0.14644400  1
  O  O47  1  0.68125700  0.33207500  0.14647700  1
