# generated using pymatgen
data_Li2NiP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.71867821
_cell_length_b   8.38088233
_cell_length_c   8.66280012
_cell_angle_alpha   74.65702770
_cell_angle_beta   102.70348996
_cell_angle_gamma   100.25167798
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2NiP2O7
_chemical_formula_sum   'Li8 Ni4 P8 O28'
_cell_volume   522.89809578
_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  0.79216100  0.00128400  0.45924700  1
  Li  Li1  1  0.29213700  0.50131200  0.45924600  1
  Li  Li2  1  0.70790500  0.49875800  0.54074700  1
  Li  Li3  1  0.20779600  0.99860400  0.54083200  1
  Li  Li4  1  0.82375100  0.88084400  0.84292500  1
  Li  Li5  1  0.32375500  0.38075200  0.84302600  1
  Li  Li6  1  0.67629300  0.61930900  0.15701700  1
  Li  Li7  1  0.17629700  0.11921700  0.15695200  1
  Ni  Ni8  1  0.09779500  0.66104400  0.73365200  1
  Ni  Ni9  1  0.90243900  0.33881500  0.26663600  1
  Ni  Ni10  1  0.59779100  0.16111500  0.73357500  1
  Ni  Ni11  1  0.40220400  0.83894600  0.26676700  1
  P  P12  1  0.78956500  0.99611100  0.13017800  1
  P  P13  1  0.28951900  0.49606600  0.13021800  1
  P  P14  1  0.71055300  0.50396500  0.86989900  1
  P  P15  1  0.21034000  0.00387300  0.86965600  1
  P  P16  1  0.98597600  0.72503200  0.35103700  1
  P  P17  1  0.48600900  0.22502600  0.35099300  1
  P  P18  1  0.51402700  0.77497200  0.64900200  1
  P  P19  1  0.01399000  0.27500000  0.64895600  1
  O  O20  1  0.06837300  0.86363900  0.82009600  1
  O  O21  1  0.56841100  0.36345700  0.82110900  1
  O  O22  1  0.43151800  0.63651000  0.17933900  1
  O  O23  1  0.93170400  0.13652700  0.17905200  1
  O  O24  1  0.67602500  0.21589600  0.33941900  1
  O  O25  1  0.17604300  0.71589000  0.33954300  1
  O  O26  1  0.82393700  0.28409400  0.66050000  1
  O  O27  1  0.32397300  0.78407800  0.66051900  1
  O  O28  1  0.22324100  0.51663200  0.94805900  1
  O  O29  1  0.72342800  0.01686500  0.94802400  1
  O  O30  1  0.27615200  0.98270400  0.05190300  1
  O  O31  1  0.77682800  0.48338800  0.05200800  1
  O  O32  1  0.97470600  0.81285900  0.48299400  1
  O  O33  1  0.47471000  0.31280900  0.48300600  1
  O  O34  1  0.52530900  0.68718400  0.51698600  1
  O  O35  1  0.02527600  0.18726200  0.51693000  1
  O  O36  1  0.90019400  0.83420800  0.16947500  1
  O  O37  1  0.40025800  0.33423100  0.16948900  1
  O  O38  1  0.59980300  0.66580600  0.83052400  1
  O  O39  1  0.09975900  0.16578000  0.83044800  1
  O  O40  1  0.63968700  0.94224600  0.63965000  1
  O  O41  1  0.13968100  0.44225500  0.63970300  1
  O  O42  1  0.86033100  0.55776800  0.36036000  1
  O  O43  1  0.36027400  0.05773500  0.36020900  1
  O  O44  1  0.65046800  0.93988000  0.23927000  1
  O  O45  1  0.15053100  0.43994000  0.23937500  1
  O  O46  1  0.84951100  0.56013400  0.76069700  1
  O  O47  1  0.34956800  0.06017700  0.76075000  1
