# generated using pymatgen
data_Li2NiP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.73938300
_cell_length_b   9.74362200
_cell_length_c   11.09621938
_cell_angle_alpha   77.69217249
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2NiP2O7
_chemical_formula_sum   'Li16 Ni8 P16 O56'
_cell_volume   1028.79486486
_cell_formula_units_Z   8
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  0.72071800  0.11337400  0.55177200  1
  Li  Li1  1  0.42365400  0.16935700  0.45699100  1
  Li  Li2  1  0.10682500  0.08733200  0.97195100  1
  Li  Li3  1  0.91202400  0.34357000  0.04376100  1
  Li  Li4  1  0.41202400  0.15643000  0.95623900  1
  Li  Li5  1  0.60682500  0.41266800  0.02804900  1
  Li  Li6  1  0.92365400  0.33064300  0.54300900  1
  Li  Li7  1  0.22071800  0.38662600  0.44822800  1
  Li  Li8  1  0.77928200  0.61337400  0.55177200  1
  Li  Li9  1  0.07634600  0.66935700  0.45699100  1
  Li  Li10  1  0.39317500  0.58733200  0.97195100  1
  Li  Li11  1  0.58797600  0.84357000  0.04376100  1
  Li  Li12  1  0.08797600  0.65643000  0.95623900  1
  Li  Li13  1  0.89317500  0.91266800  0.02804900  1
  Li  Li14  1  0.57634600  0.83064300  0.54300900  1
  Li  Li15  1  0.27928200  0.88662600  0.44822800  1
  Ni  Ni16  1  0.92751800  0.20002300  0.32630400  1
  Ni  Ni17  1  0.21026200  0.25412500  0.17772600  1
  Ni  Ni18  1  0.71026200  0.24587500  0.82227400  1
  Ni  Ni19  1  0.42751800  0.29997700  0.67369600  1
  Ni  Ni20  1  0.57248200  0.70002300  0.32630400  1
  Ni  Ni21  1  0.28973800  0.75412500  0.17772600  1
  Ni  Ni22  1  0.78973800  0.74587500  0.82227400  1
  Ni  Ni23  1  0.07248200  0.79997700  0.67369600  1
  P  P24  1  0.45093500  0.02602200  0.23983300  1
  P  P25  1  0.70599700  0.12006900  0.10851900  1
  P  P26  1  0.92915500  0.05906100  0.75770200  1
  P  P27  1  0.15084400  0.12178000  0.57384400  1
  P  P28  1  0.65084400  0.37822000  0.42615600  1
  P  P29  1  0.42915500  0.44093900  0.24229800  1
  P  P30  1  0.04906500  0.52602200  0.23983300  1
  P  P31  1  0.20599700  0.37993100  0.89148100  1
  P  P32  1  0.79400300  0.62006900  0.10851900  1
  P  P33  1  0.95093500  0.47397800  0.76016700  1
  P  P34  1  0.57084500  0.55906100  0.75770200  1
  P  P35  1  0.34915600  0.62178000  0.57384400  1
  P  P36  1  0.84915600  0.87822000  0.42615600  1
  P  P37  1  0.07084500  0.94093900  0.24229800  1
  P  P38  1  0.29400300  0.87993100  0.89148100  1
  P  P39  1  0.54906500  0.97397800  0.76016700  1
  O  O40  1  0.41359500  0.02212100  0.37308600  1
  O  O41  1  0.84004400  0.02895900  0.44438300  1
  O  O42  1  0.08846900  0.08977200  0.26888700  1
  O  O43  1  0.35891600  0.11959200  0.14395000  1
  O  O44  1  0.60093800  0.09690500  0.22496000  1
  O  O45  1  0.83209500  0.18369700  0.15675100  1
  O  O46  1  0.63552000  0.22559600  0.00029100  1
  O  O47  1  0.27572100  0.02121800  0.92453800  1
  O  O48  1  0.07869500  0.11406300  0.70637300  1
  O  O49  1  0.93178500  0.06474600  0.89219200  1
  O  O50  1  0.53665300  0.12452800  0.78830800  1
  O  O51  1  0.29122800  0.18886900  0.58337900  1
  O  O52  1  0.82323300  0.16581900  0.68780100  1
  O  O53  1  0.06324000  0.22288900  0.47885800  1
  O  O54  1  0.56324000  0.27711100  0.52114200  1
  O  O55  1  0.32323300  0.33418100  0.31219900  1
  O  O56  1  0.79122800  0.31113100  0.41662100  1
  O  O57  1  0.03665300  0.37547200  0.21169200  1
  O  O58  1  0.57869500  0.38593700  0.29362700  1
  O  O59  1  0.43178500  0.43525400  0.10780800  1
  O  O60  1  0.77572100  0.47878200  0.07546200  1
  O  O61  1  0.13552000  0.27440400  0.99970900  1
  O  O62  1  0.33209500  0.31630300  0.84324900  1
  O  O63  1  0.10093800  0.40309500  0.77504000  1
  O  O64  1  0.58846900  0.41022800  0.73111300  1
  O  O65  1  0.85891600  0.38040800  0.85605000  1
  O  O66  1  0.08640500  0.52212100  0.37308600  1
  O  O67  1  0.34004400  0.47104100  0.55561700  1
  O  O68  1  0.65995600  0.52895900  0.44438300  1
  O  O69  1  0.91359500  0.47787900  0.62691400  1
  O  O70  1  0.14108400  0.61959200  0.14395000  1
  O  O71  1  0.41153100  0.58977200  0.26888700  1
  O  O72  1  0.89906200  0.59690500  0.22496000  1
  O  O73  1  0.66790500  0.68369700  0.15675100  1
  O  O74  1  0.86448000  0.72559600  0.00029100  1
  O  O75  1  0.22427900  0.52121800  0.92453800  1
  O  O76  1  0.56821500  0.56474600  0.89219200  1
  O  O77  1  0.42130500  0.61406300  0.70637300  1
  O  O78  1  0.96334700  0.62452800  0.78830800  1
  O  O79  1  0.20877200  0.68886900  0.58337900  1
  O  O80  1  0.67676700  0.66581900  0.68780100  1
  O  O81  1  0.43676000  0.72288900  0.47885800  1
  O  O82  1  0.93676000  0.77711100  0.52114200  1
  O  O83  1  0.17676700  0.83418100  0.31219900  1
  O  O84  1  0.70877200  0.81113100  0.41662100  1
  O  O85  1  0.46334700  0.87547200  0.21169200  1
  O  O86  1  0.06821500  0.93525400  0.10780800  1
  O  O87  1  0.92130500  0.88593700  0.29362700  1
  O  O88  1  0.72427900  0.97878200  0.07546200  1
  O  O89  1  0.36448000  0.77440400  0.99970900  1
  O  O90  1  0.16790500  0.81630300  0.84324900  1
  O  O91  1  0.39906200  0.90309500  0.77504000  1
  O  O92  1  0.64108400  0.88040800  0.85605000  1
  O  O93  1  0.91153100  0.91022800  0.73111300  1
  O  O94  1  0.15995600  0.97104100  0.55561700  1
  O  O95  1  0.58640500  0.97787900  0.62691400  1
