# generated using pymatgen
data_Li2NiP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.34650700
_cell_length_b   5.04894800
_cell_length_c   9.33685407
_cell_angle_alpha   59.80527415
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2NiP2O7
_chemical_formula_sum   'Li8 Ni4 P8 O28'
_cell_volume   543.80626142
_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  0.10803500  0.96347600  0.86676500  1
  Li  Li1  1  0.69918300  0.42323600  0.83514200  1
  Li  Li2  1  0.19918300  0.57676400  0.66485800  1
  Li  Li3  1  0.60803500  0.03652400  0.63323500  1
  Li  Li4  1  0.39196500  0.96347600  0.36676500  1
  Li  Li5  1  0.80081700  0.42323600  0.33514200  1
  Li  Li6  1  0.30081700  0.57676400  0.16485800  1
  Li  Li7  1  0.89196500  0.03652400  0.13323500  1
  Ni  Ni8  1  0.83699100  0.03471100  0.75929100  1
  Ni  Ni9  1  0.33699100  0.96528900  0.74070900  1
  Ni  Ni10  1  0.66300900  0.03471100  0.25929100  1
  Ni  Ni11  1  0.16300900  0.96528900  0.24070900  1
  P  P12  1  0.67924500  0.73426500  0.03319200  1
  P  P13  1  0.02913100  0.47413100  0.22496400  1
  P  P14  1  0.52913100  0.52586900  0.27503600  1
  P  P15  1  0.17924500  0.26573500  0.46680800  1
  P  P16  1  0.32075500  0.26573500  0.96680800  1
  P  P17  1  0.97086900  0.52586900  0.77503600  1
  P  P18  1  0.82075500  0.73426500  0.53319200  1
  P  P19  1  0.47086900  0.47413100  0.72496400  1
  O  O20  1  0.96471400  0.78115000  0.82013000  1
  O  O21  1  0.56165600  0.69996000  0.07643000  1
  O  O22  1  0.10832800  0.72919800  0.13040000  1
  O  O23  1  0.73109600  0.80082700  0.15890100  1
  O  O24  1  0.28789800  0.57204200  0.95039200  1
  O  O25  1  0.43834400  0.30004000  0.92357000  1
  O  O26  1  0.89167200  0.27080200  0.86960000  1
  O  O27  1  0.26890400  0.19917300  0.84109900  1
  O  O28  1  0.69265400  0.00305900  0.85525500  1
  O  O29  1  0.71210200  0.42795800  0.04960800  1
  O  O30  1  0.07436900  0.40328700  0.77996500  1
  O  O31  1  0.57436900  0.59671300  0.72003500  1
  O  O32  1  0.46471400  0.21885000  0.67987000  1
  O  O33  1  0.76890400  0.80082700  0.65890100  1
  O  O34  1  0.19265400  0.99694100  0.64474500  1
  O  O35  1  0.39167200  0.72919800  0.63040000  1
  O  O36  1  0.30734600  0.99694100  0.14474500  1
  O  O37  1  0.78789800  0.42795800  0.54960800  1
  O  O38  1  0.21210200  0.57204200  0.45039200  1
  O  O39  1  0.06165600  0.30004000  0.42357000  1
  O  O40  1  0.60832800  0.27080200  0.36960000  1
  O  O41  1  0.80734600  0.00305900  0.35525500  1
  O  O42  1  0.23109600  0.19917300  0.34109900  1
  O  O43  1  0.53528600  0.78115000  0.32013000  1
  O  O44  1  0.42563100  0.40328700  0.27996500  1
  O  O45  1  0.92563100  0.59671300  0.22003500  1
  O  O46  1  0.03528600  0.21885000  0.17987000  1
  O  O47  1  0.93834400  0.69996000  0.57643000  1
