# generated using pymatgen
data_Na2Li2NiP6(H4O5)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.41857263
_cell_length_b   10.41333332
_cell_length_c   15.05093907
_cell_angle_alpha   108.99264946
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.01664294
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2Li2NiP6(H4O5)6
_chemical_formula_sum   'Na4 Li4 Ni2 P12 H48 O60'
_cell_volume   1310.23175963
_cell_formula_units_Z   2
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
  Na  Na0  1  0.35969150  0.22584672  0.09461086  1
  Na  Na1  1  0.13384479  0.77415328  0.40538914  1
  Na  Na2  1  0.64030850  0.77415328  0.90538914  1
  Na  Na3  1  0.86615521  0.22584672  0.59461086  1
  Li  Li4  1  0.22847859  0.47613367  0.24743886  1
  Li  Li5  1  0.75234492  0.52386633  0.25256114  1
  Li  Li6  1  0.77152141  0.52386633  0.75256114  1
  Li  Li7  1  0.24765508  0.47613367  0.74743886  1
  Ni  Ni8  1  0.74177900  1.00000000  0.25000000  1
  Ni  Ni9  1  0.25822100  0.00000000  0.75000000  1
  P  P10  1  0.78522894  0.68734330  0.46390714  1
  P  P11  1  0.09788564  0.31265670  0.03609286  1
  P  P12  1  0.21477106  0.31265670  0.53609286  1
  P  P13  1  0.90211436  0.68734330  0.96390714  1
  P  P14  1  0.26746046  0.56290605  0.46090535  1
  P  P15  1  0.70455441  0.43709395  0.03909465  1
  P  P16  1  0.73253954  0.43709395  0.53909465  1
  P  P17  1  0.29544559  0.56290605  0.96090535  1
  P  P18  1  0.58843739  0.81371060  0.53529322  1
  P  P19  1  0.77472679  0.18628940  0.96470678  1
  P  P20  1  0.41156261  0.18628940  0.46470678  1
  P  P21  1  0.22527321  0.81371060  0.03529322  1
  H  H22  1  0.38855905  0.78466358  0.29989847  1
  H  H23  1  0.60389547  0.21533642  0.20010153  1
  H  H24  1  0.61144095  0.21533642  0.70010153  1
  H  H25  1  0.39610453  0.78466358  0.79989847  1
  H  H26  1  0.26168192  0.72546381  0.21796407  1
  H  H27  1  0.53621811  0.27453619  0.28203593  1
  H  H28  1  0.73831808  0.27453619  0.78203593  1
  H  H29  1  0.46378189  0.72546381  0.71796407  1
  H  H30  1  0.48448866  0.58778277  0.20044408  1
  H  H31  1  0.89670590  0.41221723  0.29955592  1
  H  H32  1  0.51551134  0.41221723  0.79955592  1
  H  H33  1  0.10329410  0.58778277  0.70044408  1
  H  H34  1  0.49047614  0.52253404  0.27779818  1
  H  H35  1  0.96794209  0.47746596  0.22220182  1
  H  H36  1  0.50952386  0.47746596  0.72220182  1
  H  H37  1  0.03205791  0.52253404  0.77779818  1
  H  H38  1  0.19150073  0.03790020  0.19532624  1
  H  H39  1  0.15360054  0.96209980  0.30467376  1
  H  H40  1  0.80849927  0.96209980  0.80467376  1
  H  H41  1  0.84639946  0.03790020  0.69532624  1
  H  H42  1  0.27484224  0.19736984  0.28311112  1
  H  H43  1  0.07747239  0.80263016  0.21688888  1
  H  H44  1  0.72515776  0.80263016  0.71688888  1
  H  H45  1  0.92252761  0.19736984  0.78311112  1
  H  H46  1  0.50264066  0.95737840  0.14780651  1
  H  H47  1  0.54526226  0.04262160  0.35219349  1
  H  H48  1  0.49735934  0.04262160  0.85219349  1
  H  H49  1  0.45473774  0.95737840  0.64780651  1
  H  H50  1  0.64925451  0.03531517  0.10109373  1
  H  H51  1  0.61393934  0.96468483  0.39890627  1
  H  H52  1  0.35074549  0.96468483  0.89890627  1
  H  H53  1  0.38606066  0.03531517  0.60109373  1
  H  H54  1  0.98187396  0.29478344  0.34765839  1
  H  H55  1  0.68709052  0.70521656  0.15234161  1
  H  H56  1  0.01812604  0.70521656  0.65234161  1
  H  H57  1  0.31290948  0.29478344  0.84765839  1
  H  H58  1  0.84060655  0.27721834  0.39709514  1
  H  H59  1  0.56338821  0.72278166  0.10290486  1
  H  H60  1  0.15939345  0.72278166  0.60290486  1
  H  H61  1  0.43661179  0.27721834  0.89709514  1
  H  H62  1  0.95149156  0.14084472  0.15271709  1
  H  H63  1  0.81064684  0.85915528  0.34728291  1
  H  H64  1  0.04850844  0.85915528  0.84728291  1
  H  H65  1  0.18935316  0.14084472  0.65271709  1
  H  H66  1  0.88474863  0.95290405  0.10651643  1
  H  H67  1  0.93184457  0.04709595  0.39348357  1
  H  H68  1  0.11525137  0.04709595  0.89348357  1
  H  H69  1  0.06815543  0.95290405  0.60651643  1
  O  O70  1  0.18609660  0.43104199  0.36411581  1
  O  O71  1  0.75505462  0.56895801  0.13588419  1
  O  O72  1  0.81390340  0.56895801  0.63588419  1
  O  O73  1  0.24494538  0.43104199  0.86411581  1
  O  O74  1  0.44407069  0.66104859  0.45275272  1
  O  O75  1  0.78302210  0.33895141  0.04724728  1
  O  O76  1  0.55592931  0.33895141  0.54724728  1
  O  O77  1  0.21697790  0.66104859  0.95275272  1
  O  O78  1  0.28049113  0.70037078  0.27247637  1
  O  O79  1  0.58012035  0.29962922  0.22752363  1
  O  O80  1  0.71950887  0.29962922  0.72752363  1
  O  O81  1  0.41987965  0.70037078  0.77247637  1
  O  O82  1  0.42380889  0.49574703  0.22033595  1
  O  O83  1  0.92806186  0.50425297  0.27966405  1
  O  O84  1  0.57619111  0.50425297  0.77966405  1
  O  O85  1  0.07193814  0.49574703  0.72033595  1
  O  O86  1  0.23321551  0.15218551  0.21474251  1
  O  O87  1  0.08103001  0.84781449  0.28525749  1
  O  O88  1  0.76678449  0.84781449  0.78525749  1
  O  O89  1  0.91896999  0.15218551  0.71474251  1
  O  O90  1  0.54513002  0.84435956  0.63192168  1
  O  O91  1  0.70077046  0.15564044  0.86807832  1
  O  O92  1  0.45486998  0.15564044  0.36807832  1
  O  O93  1  0.29922954  0.84435956  0.13192168  1
  O  O94  1  0.72490674  0.66397884  0.36496079  1
  O  O95  1  0.06092790  0.33602116  0.13503921  1
  O  O96  1  0.27509326  0.33602116  0.63503921  1
  O  O97  1  0.93907210  0.66397884  0.86496079  1
  O  O98  1  0.21502756  0.67679626  0.50166606  1
  O  O99  1  0.53823129  0.32320374  0.99833394  1
  O  O100  1  0.78497244  0.32320374  0.49833394  1
  O  O101  1  0.46176871  0.67679626  0.00166606  1
  O  O102  1  0.66439820  0.94768789  0.49946531  1
  O  O103  1  0.71671031  0.05231211  0.00053469  1
  O  O104  1  0.33560180  0.05231211  0.50053469  1
  O  O105  1  0.28328969  0.94768789  0.99946531  1
  O  O106  1  0.72396467  0.50801723  0.45983606  1
  O  O107  1  0.21594744  0.49198277  0.04016394  1
  O  O108  1  0.27603533  0.49198277  0.54016394  1
  O  O109  1  0.78405256  0.50801723  0.95983606  1
  O  O110  1  0.95157774  0.79189960  0.50331833  1
  O  O111  1  0.15967814  0.20810040  0.99668167  1
  O  O112  1  0.04842226  0.20810040  0.49668167  1
  O  O113  1  0.84032186  0.79189960  0.00331833  1
  O  O114  1  0.69597426  0.74319683  0.54103176  1
  O  O115  1  0.95277742  0.25680317  0.95896824  1
  O  O116  1  0.30402574  0.25680317  0.45896824  1
  O  O117  1  0.04722258  0.74319683  0.04103176  1
  O  O118  1  0.61388851  0.03639789  0.16325529  1
  O  O119  1  0.57749061  0.96360211  0.33674471  1
  O  O120  1  0.38611149  0.96360211  0.83674471  1
  O  O121  1  0.42250939  0.03639789  0.66325529  1
  O  O122  1  0.87115426  0.24982331  0.33335928  1
  O  O123  1  0.62133095  0.75017669  0.16664072  1
  O  O124  1  0.12884574  0.75017669  0.66664072  1
  O  O125  1  0.37866905  0.24982331  0.83335928  1
  O  O126  1  0.89935930  0.04133964  0.16543488  1
  O  O127  1  0.85801966  0.95866036  0.33456512  1
  O  O128  1  0.10064070  0.95866036  0.83456512  1
  O  O129  1  0.14198034  0.04133964  0.66543488  1
