# generated using pymatgen
data_Li5Ni9(P2O7)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.77094948
_cell_length_b   9.67105427
_cell_length_c   12.60719042
_cell_angle_alpha   85.24111810
_cell_angle_beta   66.22540690
_cell_angle_gamma   109.91851735
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li5Ni9(P2O7)8
_chemical_formula_sum   'Li5 Ni9 P16 O56'
_cell_volume   1092.24016116
_cell_formula_units_Z   1
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  1.00161052  0.43794875  0.59962513  1
  Li  Li1  1  0.27631053  0.61524789  0.19289615  1
  Li  Li2  1  0.96810488  0.96756231  0.00709238  1
  Li  Li3  1  0.48529939  0.05075323  0.90626461  1
  Li  Li4  1  0.69861849  0.37906077  0.83123957  1
  O  O5  1  0.51824434  0.72140604  0.79317664  1
  O  O6  1  0.88474143  0.31091444  0.96593580  1
  O  O7  1  0.87581071  0.29801586  0.77099814  1
  O  O8  1  0.98659754  0.32638406  0.47441225  1
  O  O9  1  0.97884721  0.78181974  0.70543284  1
  O  O10  1  0.88916903  0.83668812  0.55791250  1
  O  O11  1  0.72394233  0.49153745  0.97382078  1
  O  O12  1  0.87965510  0.04888505  0.15755989  1
  O  O13  1  0.74159179  0.58050185  0.71413306  1
  O  O14  1  0.07088063  0.90758624  0.10167138  1
  O  O15  1  0.10344080  0.67619371  0.03714533  1
  O  O16  1  0.14198737  0.72250248  0.20652710  1
  O  O17  1  0.00885941  0.64854991  0.54918819  1
  O  O18  1  0.01773547  0.21835954  0.30148154  1
  O  O19  1  0.16798059  0.23217056  0.03726721  1
  O  O20  1  0.27484157  0.51936139  0.02675037  1
  O  O21  1  0.11496003  0.95735072  0.83836397  1
  O  O22  1  0.25245464  0.41663416  0.29759073  1
  O  O23  1  0.12047322  0.14929632  0.43384859  1
  O  O24  1  0.16124829  0.57284993  0.64498249  1
  O  O25  1  0.40866502  0.74908236  0.24585919  1
  O  O26  1  0.24711888  0.08654235  0.19710119  1
  O  O27  1  0.39278297  0.35883002  0.06899981  1
  O  O28  1  0.37198039  0.81720511  0.43723351  1
  O  O29  1  0.29558626  0.88502378  0.66932102  1
  O  O30  1  0.08347625  0.11313009  0.64879694  1
  O  O31  1  0.11743866  0.34198165  0.78447922  1
  O  O32  1  0.20292221  0.59921348  0.82817679  1
  O  O33  1  0.43914937  0.58985235  0.39738947  1
  O  O34  1  0.33166071  0.29114653  0.47542803  1
  O  O35  1  0.33601302  0.92312471  0.84732475  1
  O  O36  1  0.23613667  0.00248975  0.49898496  1
  O  O37  1  0.59571079  0.59548893  0.14595985  1
  O  O38  1  0.51855401  0.17649252  0.02386240  1
  O  O39  1  0.48060660  0.27017846  0.20456074  1
  O  O40  1  0.62931554  0.85095311  0.29123238  1
  O  O41  1  0.37848770  0.53331890  0.65691530  1
  O  O42  1  0.62219457  0.45162366  0.35034946  1
  O  O43  1  0.37151333  0.14902926  0.70727636  1
  O  O44  1  0.48662150  0.84874643  0.95255503  1
  O  O45  1  0.90784979  0.08814718  0.89255958  1
  O  O46  1  0.65039536  0.08335901  0.16551659  1
  O  O47  1  0.40767610  0.40479992  0.86262842  1
  O  O48  1  0.66750207  0.70184258  0.52651619  1
  O  O49  1  0.76503375  0.98857273  0.50921417  1
  O  O50  1  0.57104054  0.40729024  0.60948973  1
  O  O51  1  0.79657559  0.40040552  0.16934197  1
  O  O52  1  0.87821666  0.65044804  0.22488227  1
  O  O53  1  0.91194591  0.88738128  0.34831433  1
  O  O54  1  0.70140902  0.10845290  0.33860057  1
  O  O55  1  0.62625604  0.17848212  0.56227218  1
  O  O56  1  0.59697044  0.65358815  0.94560275  1
  O  O57  1  0.75624877  0.90856390  0.78896062  1
  O  O58  1  0.58303044  0.23304015  0.76477957  1
  O  O59  1  0.84797413  0.41273936  0.34803984  1
  O  O60  1  0.82932986  0.77869056  0.96680498  1
  P  P61  1  0.93775120  0.25538658  0.85182761  1
  P  P62  1  0.89769564  0.70327510  0.63380599  1
  P  P63  1  0.72260069  0.03364767  0.23466751  1
  P  P64  1  0.80440533  0.85438272  0.47984654  1
  P  P65  1  0.54781989  0.24401528  0.65985597  1
  P  P66  1  0.59816540  0.79394759  0.86779939  1
  P  P67  1  0.78230140  0.46776411  0.27570172  1
  P  P68  1  0.30527999  0.38089974  0.99523280  1
  P  P69  1  0.69251747  0.62801378  0.01141335  1
  P  P70  1  0.05398794  0.74744611  0.14338338  1
  P  P71  1  0.09935050  0.28767621  0.37540684  1
  P  P72  1  0.27253924  0.96897737  0.76799754  1
  P  P73  1  0.21927033  0.52236472  0.72681056  1
  P  P74  1  0.45528303  0.74783574  0.34474823  1
  P  P75  1  0.40232480  0.20973330  0.12614159  1
  P  P76  1  0.19664926  0.13764120  0.52000093  1
  Ni  Ni77  1  0.05133192  0.06691185  0.19766679  1
  Ni  Ni78  1  0.18872143  0.78957683  0.58158129  1
  Ni  Ni79  1  0.45081578  0.42878579  0.29954858  1
  Ni  Ni80  1  0.30837764  0.70725359  0.91273041  1
  Ni  Ni81  1  0.50608211  0.49909959  0.50178907  1
  Ni  Ni82  1  0.68843955  0.29397889  0.08484702  1
  Ni  Ni83  1  0.54906152  0.56391003  0.70524295  1
  Ni  Ni84  1  0.81208513  0.20221858  0.42488625  1
  Ni  Ni85  1  0.94478657  0.93635206  0.79780386  1
