# generated using pymatgen
data_Li2Ni3(P2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25612000
_cell_length_b   6.40045733
_cell_length_c   15.89326259
_cell_angle_alpha   81.42260155
_cell_angle_beta   81.98609916
_cell_angle_gamma   72.21375216
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Ni3(P2O7)2
_chemical_formula_sum   'Li4 Ni6 P8 O28'
_cell_volume   500.91672076
_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  0.64460400  0.31536300  0.87612600  1
  Li  Li1  1  0.07467900  0.21197100  0.98749700  1
  Li  Li2  1  0.92532100  0.78802900  0.01250300  1
  Li  Li3  1  0.35539600  0.68463700  0.12387400  1
  Ni  Ni4  1  0.22739200  0.95888800  0.33394300  1
  Ni  Ni5  1  0.20257800  0.27933500  0.59269600  1
  Ni  Ni6  1  0.05327300  0.63830900  0.81283300  1
  Ni  Ni7  1  0.94672700  0.36169100  0.18716700  1
  Ni  Ni8  1  0.77260800  0.04111200  0.66605700  1
  Ni  Ni9  1  0.79742200  0.72066500  0.40730400  1
  P  P10  1  0.18485700  0.10934800  0.79130400  1
  P  P11  1  0.29874100  0.78184200  0.54241900  1
  P  P12  1  0.35260700  0.42545400  0.31988400  1
  P  P13  1  0.64739300  0.57454600  0.68011600  1
  P  P14  1  0.81514300  0.89065200  0.20869600  1
  P  P15  1  0.70125900  0.21815800  0.45758100  1
  P  P16  1  0.54736600  0.23829900  0.07282000  1
  P  P17  1  0.45263400  0.76170100  0.92718000  1
  O  O18  1  0.59120200  0.02759200  0.14578100  1
  O  O19  1  0.40778300  0.84616500  0.45021600  1
  O  O20  1  0.39981500  0.55114100  0.73546000  1
  O  O21  1  0.00942500  0.02433300  0.21457100  1
  O  O22  1  0.12114000  0.98591100  0.58533900  1
  O  O23  1  0.71132900  0.14440300  0.99164100  1
  O  O24  1  0.34203500  0.58766600  0.90102300  1
  O  O25  1  0.99057500  0.97566700  0.78542900  1
  O  O26  1  0.64138800  0.85261200  0.29171200  1
  O  O27  1  0.40879800  0.97240800  0.85421900  1
  O  O28  1  0.28867100  0.85559700  0.00835900  1
  O  O29  1  0.20200900  0.28600400  0.28682300  1
  O  O30  1  0.79799100  0.71399600  0.71317700  1
  O  O31  1  0.65796500  0.41233400  0.09897700  1
  O  O32  1  0.96819200  0.68519300  0.16246100  1
  O  O33  1  0.42605700  0.29835200  0.41213400  1
  O  O34  1  0.24180200  0.31521400  0.07150700  1
  O  O35  1  0.60018500  0.44885900  0.26454000  1
  O  O36  1  0.83092500  0.40211800  0.44823000  1
  O  O37  1  0.35861200  0.14738800  0.70828800  1
  O  O38  1  0.59221700  0.15383500  0.54978400  1
  O  O39  1  0.16907500  0.59788200  0.55177000  1
  O  O40  1  0.16249300  0.65460700  0.33872200  1
  O  O41  1  0.75819800  0.68478600  0.92849300  1
  O  O42  1  0.57394300  0.70164800  0.58786600  1
  O  O43  1  0.03180800  0.31480700  0.83753900  1
  O  O44  1  0.83750700  0.34539300  0.66127800  1
  O  O45  1  0.87886000  0.01408900  0.41466100  1
