# generated using pymatgen
data_LiNi4(P2O7)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.60502800
_cell_length_b   9.57490612
_cell_length_c   22.00778307
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.75070720
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNi4(P2O7)3
_chemical_formula_sum   'Li4 Ni16 P24 O84'
_cell_volume   1602.53501595
_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  0.97121017  0.77900061  0.61374908  1.0
  Li  Li1  1  0.52878783  0.72099639  0.11374908  1.0
  Li  Li2  1  0.47121017  0.27900061  0.88625092  1.0
  Li  Li3  1  0.02878783  0.22099639  0.38625092  1.0
  Ni  Ni4  1  0.93027664  0.77747970  0.25543815  1.0
  Ni  Ni5  1  0.56972336  0.72252030  0.75543815  1.0
  Ni  Ni6  1  0.43027664  0.27747970  0.24456185  1.0
  Ni  Ni7  1  0.06972336  0.22252030  0.74456185  1.0
  Ni  Ni8  1  0.95911527  0.70876068  0.76056370  1.0
  Ni  Ni9  1  0.95523995  0.26654942  0.50715187  1.0
  Ni  Ni10  1  0.54476005  0.23345058  0.00715187  1.0
  Ni  Ni11  1  0.54088473  0.79123932  0.26056370  1.0
  Ni  Ni12  1  0.45911527  0.20876068  0.73943630  1.0
  Ni  Ni13  1  0.45523995  0.76654942  0.99284813  1.0
  Ni  Ni14  1  0.04476005  0.73345058  0.49284813  1.0
  Ni  Ni15  1  0.04088473  0.29123932  0.23943630  1.0
  Ni  Ni16  1  0.93533796  0.24167801  0.99343026  1.0
  Ni  Ni17  1  0.56466204  0.25832199  0.49343026  1.0
  Ni  Ni18  1  0.43533796  0.74167801  0.50656974  1.0
  Ni  Ni19  1  0.06466204  0.75832199  0.00656974  1.0
  P  P20  1  0.76554459  0.99489462  0.68642918  1.0
  P  P21  1  0.76355454  0.83367248  0.88796371  1.0
  P  P22  1  0.76650784  0.15877318  0.85598809  1.0
  P  P23  1  0.76181579  0.44434498  0.69954562  1.0
  P  P24  1  0.74602599  0.97068834  0.54659330  1.0
  P  P25  1  0.74623658  0.53125025  0.56144132  1.0
  P  P26  1  0.75376342  0.96874975  0.06144132  1.0
  P  P27  1  0.75397401  0.52931166  0.04659330  1.0
  P  P28  1  0.73818421  0.05565502  0.19954562  1.0
  P  P29  1  0.73349216  0.34122682  0.35598809  1.0
  P  P30  1  0.73644546  0.66632752  0.38796371  1.0
  P  P31  1  0.73445541  0.50510538  0.18642918  1.0
  P  P32  1  0.26554459  0.49489462  0.81357082  1.0
  P  P33  1  0.26355454  0.33367248  0.61203629  1.0
  P  P34  1  0.26650784  0.65877318  0.64401191  1.0
  P  P35  1  0.26181579  0.94434498  0.80045438  1.0
  P  P36  1  0.24602599  0.47068834  0.95340670  1.0
  P  P37  1  0.24623658  0.03125025  0.93855868  1.0
  P  P38  1  0.25376342  0.46874975  0.43855868  1.0
  P  P39  1  0.25397401  0.02931166  0.45340670  1.0
  P  P40  1  0.23818421  0.55565502  0.30045438  1.0
  P  P41  1  0.23349216  0.84122682  0.14401191  1.0
  P  P42  1  0.23644546  0.16632752  0.11203629  1.0
  P  P43  1  0.23445541  0.00510538  0.31357082  1.0
  O  O44  1  0.93441377  0.59295705  0.04045359  1.0
  O  O45  1  0.93793837  0.37459736  0.70757423  1.0
  O  O46  1  0.92012560  0.79165710  0.92715211  1.0
  O  O47  1  0.90727683  0.62627205  0.55713640  1.0
  O  O48  1  0.93191729  0.20558454  0.82311130  1.0
  O  O49  1  0.92744114  0.07655247  0.70409415  1.0
  O  O50  1  0.92769862  0.89400957  0.05299478  1.0
  O  O51  1  0.90631261  0.32111200  0.32067124  1.0
  O  O52  1  0.91383901  0.67918248  0.41904250  1.0
  O  O53  1  0.90827616  0.42858383  0.18729789  1.0
  O  O54  1  0.90179434  0.13230104  0.21745571  1.0
  O  O55  1  0.89326541  0.89601986  0.51256457  1.0
  O  O56  1  0.80946525  0.94532968  0.61670055  1.0
  O  O57  1  0.78949350  0.99467509  0.86905988  1.0
  O  O58  1  0.76582376  0.74643303  0.82911607  1.0
  O  O59  1  0.75848545  0.02720229  0.12862025  1.0
  O  O60  1  0.75602501  0.26018916  0.41649754  1.0
  O  O61  1  0.76195014  0.85275813  0.71899756  1.0
  O  O62  1  0.76228897  0.58670244  0.73220458  1.0
  O  O63  1  0.75021487  0.37113127  0.03472208  1.0
  O  O64  1  0.74070109  0.09700756  0.01975502  1.0
  O  O65  1  0.75929891  0.40299244  0.51975502  1.0
  O  O66  1  0.74978513  0.12886873  0.53472208  1.0
  O  O67  1  0.73771103  0.91329756  0.23220458  1.0
  O  O68  1  0.73804986  0.64724187  0.21899756  1.0
  O  O69  1  0.74397499  0.23981084  0.91649754  1.0
  O  O70  1  0.74151455  0.47279771  0.62862025  1.0
  O  O71  1  0.73417624  0.75356697  0.32911607  1.0
  O  O72  1  0.71050650  0.50532491  0.36905988  1.0
  O  O73  1  0.69053475  0.55467032  0.11670055  1.0
  O  O74  1  0.60673459  0.60398014  0.01256457  1.0
  O  O75  1  0.59820566  0.36769896  0.71745571  1.0
  O  O76  1  0.59172384  0.07141617  0.68729789  1.0
  O  O77  1  0.58616099  0.82081752  0.91904250  1.0
  O  O78  1  0.59368739  0.17888800  0.82067124  1.0
  O  O79  1  0.57230138  0.60599043  0.55299478  1.0
  O  O80  1  0.57255886  0.42344753  0.20409415  1.0
  O  O81  1  0.56808271  0.29441546  0.32311130  1.0
  O  O82  1  0.59272317  0.87372795  0.05713640  1.0
  O  O83  1  0.57987440  0.70834290  0.42715211  1.0
  O  O84  1  0.56206163  0.12540264  0.20757423  1.0
  O  O85  1  0.56558623  0.90704295  0.54045359  1.0
  O  O86  1  0.43441377  0.09295705  0.45954641  1.0
  O  O87  1  0.43793837  0.87459736  0.79242577  1.0
  O  O88  1  0.42012560  0.29165710  0.57284789  1.0
  O  O89  1  0.40727683  0.12627205  0.94286360  1.0
  O  O90  1  0.43191729  0.70558454  0.67688870  1.0
  O  O91  1  0.42744114  0.57655247  0.79590585  1.0
  O  O92  1  0.42769862  0.39400957  0.44700522  1.0
  O  O93  1  0.40631261  0.82111200  0.17932876  1.0
  O  O94  1  0.41383901  0.17918248  0.08095750  1.0
  O  O95  1  0.40827616  0.92858383  0.31270211  1.0
  O  O96  1  0.40179434  0.63230104  0.28254429  1.0
  O  O97  1  0.39326541  0.39601986  0.98743543  1.0
  O  O98  1  0.30946525  0.44532968  0.88329945  1.0
  O  O99  1  0.28949350  0.49467509  0.63094012  1.0
  O  O100  1  0.26582376  0.24643303  0.67088393  1.0
  O  O101  1  0.25848545  0.52720229  0.37137975  1.0
  O  O102  1  0.25602501  0.76018916  0.08350246  1.0
  O  O103  1  0.26195014  0.35275813  0.78100244  1.0
  O  O104  1  0.26228897  0.08670244  0.76779542  1.0
  O  O105  1  0.25021487  0.87113127  0.46527792  1.0
  O  O106  1  0.24070109  0.59700756  0.48024498  1.0
  O  O107  1  0.25929891  0.90299244  0.98024498  1.0
  O  O108  1  0.24978513  0.62886873  0.96527792  1.0
  O  O109  1  0.23771103  0.41329756  0.26779542  1.0
  O  O110  1  0.23804986  0.14724187  0.28100244  1.0
  O  O111  1  0.24397499  0.73981084  0.58350246  1.0
  O  O112  1  0.24151455  0.97279771  0.87137975  1.0
  O  O113  1  0.23417624  0.25356697  0.17088393  1.0
  O  O114  1  0.21050650  0.00532491  0.13094012  1.0
  O  O115  1  0.19053475  0.05467032  0.38329945  1.0
  O  O116  1  0.10673459  0.10398014  0.48743543  1.0
  O  O117  1  0.09820566  0.86769896  0.78254429  1.0
  O  O118  1  0.09172384  0.57141617  0.81270211  1.0
  O  O119  1  0.08616099  0.32081752  0.58095750  1.0
  O  O120  1  0.09368739  0.67888800  0.67932876  1.0
  O  O121  1  0.07230138  0.10599043  0.94700522  1.0
  O  O122  1  0.07255886  0.92344753  0.29590585  1.0
  O  O123  1  0.06808271  0.79441546  0.17688870  1.0
  O  O124  1  0.09272317  0.37372795  0.44286360  1.0
  O  O125  1  0.07987440  0.20834290  0.07284789  1.0
  O  O126  1  0.06206163  0.62540264  0.29242577  1.0
  O  O127  1  0.06558623  0.40704295  0.95954641  1.0