# generated using pymatgen
data_Li2NiP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01152913
_cell_length_b   14.21858434
_cell_length_c   8.80203843
_cell_angle_alpha   80.77104390
_cell_angle_beta   90.00171710
_cell_angle_gamma   90.00211600
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2NiP2O7
_chemical_formula_sum   'Li8 Ni4 P8 O28'
_cell_volume   619.08656511
_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  0.60652800  0.06046400  0.88647400  1
  Li  Li1  1  0.10653600  0.56048900  0.38647000  1
  Li  Li2  1  0.10649300  0.93953200  0.61354700  1
  Li  Li3  1  0.60651600  0.43951500  0.11346000  1
  Li  Li4  1  0.89347700  0.43953900  0.61352400  1
  Li  Li5  1  0.39346800  0.93951300  0.11352700  1
  Li  Li6  1  0.39351100  0.56047200  0.88644800  1
  Li  Li7  1  0.89349000  0.06048800  0.38653700  1
  Ni  Ni8  1  0.25002900  0.74995600  0.25011500  1
  Ni  Ni9  1  0.25008200  0.75017400  0.75004700  1
  Ni  Ni10  1  0.74994300  0.24992700  0.74997300  1
  Ni  Ni11  1  0.74983700  0.24988100  0.24993600  1
  P  P12  1  0.38835400  0.35246200  0.46440200  1
  P  P13  1  0.88840800  0.85244900  0.96441900  1
  P  P14  1  0.11157000  0.35253500  0.96437200  1
  P  P15  1  0.61162900  0.85243900  0.46441200  1
  P  P16  1  0.38842800  0.14747200  0.53562200  1
  P  P17  1  0.88838100  0.64756200  0.03558100  1
  P  P18  1  0.11165400  0.14754300  0.03559100  1
  P  P19  1  0.61159800  0.64755100  0.53559100  1
  O  O20  1  0.27110900  0.24998400  0.00002200  1
  O  O21  1  0.77096300  0.75001100  0.49995900  1
  O  O22  1  0.22889700  0.25001600  0.49997600  1
  O  O23  1  0.72904000  0.74999600  0.00003600  1
  O  O24  1  0.40321900  0.84960900  0.59462200  1
  O  O25  1  0.90319300  0.34988400  0.09436200  1
  O  O26  1  0.40326800  0.65035500  0.40535600  1
  O  O27  1  0.90315300  0.15021100  0.90556600  1
  O  O28  1  0.09679200  0.65040100  0.90536900  1
  O  O29  1  0.59680800  0.15011500  0.40564100  1
  O  O30  1  0.09674000  0.84964600  0.09464200  1
  O  O31  1  0.59685400  0.34978900  0.59443300  1
  O  O32  1  0.17925900  0.07142000  0.53625500  1
  O  O33  1  0.67930900  0.57145700  0.03617300  1
  O  O34  1  0.32074800  0.42858200  0.96374300  1
  O  O35  1  0.82069800  0.92854700  0.46382600  1
  O  O36  1  0.17926700  0.42857100  0.46377400  1
  O  O37  1  0.67928800  0.92854300  0.96385600  1
  O  O38  1  0.32073800  0.07143200  0.03622300  1
  O  O39  1  0.82071800  0.57146100  0.53613800  1
  O  O40  1  0.52613900  0.14488000  0.69257200  1
  O  O41  1  0.02648800  0.64482300  0.19242600  1
  O  O42  1  0.97385900  0.35511800  0.80742300  1
  O  O43  1  0.47351600  0.85518000  0.30757400  1
  O  O44  1  0.97383700  0.14488200  0.19258800  1
  O  O45  1  0.47351100  0.64483500  0.69239800  1
  O  O46  1  0.52616900  0.35511700  0.30740700  1
  O  O47  1  0.02648500  0.85517600  0.80759800  1
