# generated using pymatgen
data_Li4FeP2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.74617931
_cell_length_b   7.18514222
_cell_length_c   19.44492029
_cell_angle_alpha   90.00000000
_cell_angle_beta   97.04875839
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4FeP2O9
_chemical_formula_sum   'Li40 Fe10 P20 O90'
_cell_volume   1767.36695618
_cell_formula_units_Z   10
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  0.09494670  0.52011277  0.94948869  1
  Li  Li1  1  0.09158682  0.27272622  0.83097520  1
  Li  Li2  1  0.10366840  0.01376483  0.70160141  1
  Li  Li3  1  0.10298039  0.79112771  0.56119358  1
  Li  Li4  1  0.09494670  0.47988723  0.44948869  1
  Li  Li5  1  0.09158682  0.72727378  0.33097520  1
  Li  Li6  1  0.10366840  0.98623517  0.20160141  1
  Li  Li7  1  0.10298039  0.20887229  0.06119358  1
  Li  Li8  1  0.28763139  0.79444262  0.97363886  1
  Li  Li9  1  0.30031635  0.95368728  0.83692401  1
  Li  Li10  1  0.30336276  0.54262181  0.84516404  1
  Li  Li11  1  0.30038065  0.96658945  0.64283493  1
  Li  Li12  1  0.28763139  0.20555738  0.47363886  1
  Li  Li13  1  0.30031635  0.04631272  0.33692401  1
  Li  Li14  1  0.30336276  0.45737819  0.34516404  1
  Li  Li15  1  0.30038065  0.03341055  0.14283493  1
  Li  Li16  1  0.51305167  0.25811083  0.86507054  1
  Li  Li17  1  0.50000000  0.58279326  0.75000000  1
  Li  Li18  1  0.48694833  0.25811083  0.63492946  1
  Li  Li19  1  0.50000000  0.00000000  0.50000000  1
  Li  Li20  1  0.51305167  0.74188917  0.36507054  1
  Li  Li21  1  0.50000000  0.41720674  0.25000000  1
  Li  Li22  1  0.48694833  0.74188917  0.13492946  1
  Li  Li23  1  0.50000000  0.00000000  0.00000000  1
  Li  Li24  1  0.69961935  0.96658945  0.85716507  1
  Li  Li25  1  0.69663724  0.54262181  0.65483596  1
  Li  Li26  1  0.69968365  0.95368728  0.66307599  1
  Li  Li27  1  0.71236861  0.79444262  0.52636114  1
  Li  Li28  1  0.69961935  0.03341055  0.35716507  1
  Li  Li29  1  0.69663724  0.45737819  0.15483596  1
  Li  Li30  1  0.69968365  0.04631272  0.16307599  1
  Li  Li31  1  0.71236861  0.20555738  0.02636114  1
  Li  Li32  1  0.89701961  0.79112771  0.93880642  1
  Li  Li33  1  0.89633160  0.01376483  0.79839859  1
  Li  Li34  1  0.90841318  0.27272622  0.66902480  1
  Li  Li35  1  0.90505330  0.52011277  0.55051131  1
  Li  Li36  1  0.89701961  0.20887229  0.43880642  1
  Li  Li37  1  0.89633160  0.98623517  0.29839859  1
  Li  Li38  1  0.90841318  0.72727378  0.16902480  1
  Li  Li39  1  0.90505330  0.47988723  0.05051131  1
  Fe  Fe40  1  0.10068494  0.53620362  0.69871464  1
  Fe  Fe41  1  0.10068494  0.46379638  0.19871464  1
  Fe  Fe42  1  0.29863062  0.52018682  0.59861330  1
  Fe  Fe43  1  0.29863062  0.47981318  0.09861330  1
  Fe  Fe44  1  0.50000000  0.50000000  0.50000000  1
  Fe  Fe45  1  0.50000000  0.50000000  0.00000000  1
  Fe  Fe46  1  0.70136938  0.52018682  0.90138670  1
  Fe  Fe47  1  0.70136938  0.47981318  0.40138670  1
  Fe  Fe48  1  0.89931506  0.53620362  0.80128536  1
  Fe  Fe49  1  0.89931506  0.46379638  0.30128536  1
  P  P50  1  0.10046031  0.80309343  0.83444079  1
  P  P51  1  0.09820634  0.24058458  0.56807172  1
  P  P52  1  0.10046031  0.19690657  0.33444079  1
  P  P53  1  0.09820634  0.75941542  0.06807172  1
  P  P54  1  0.29264405  0.25611736  0.95346333  1
  P  P55  1  0.30519870  0.27550852  0.74132598  1
  P  P56  1  0.29264405  0.74388264  0.45346333  1
  P  P57  1  0.30519870  0.72449148  0.24132598  1
  P  P58  1  0.50372395  0.79872863  0.87360077  1
  P  P59  1  0.49627605  0.79872863  0.62639923  1
  P  P60  1  0.50372395  0.20127137  0.37360077  1
  P  P61  1  0.49627605  0.20127137  0.12639923  1
  P  P62  1  0.69480130  0.27550852  0.75867402  1
  P  P63  1  0.70735595  0.25611736  0.54653667  1
  P  P64  1  0.69480130  0.72449148  0.25867402  1
  P  P65  1  0.70735595  0.74388264  0.04653667  1
  P  P66  1  0.90179366  0.24058458  0.93192828  1
  P  P67  1  0.89953969  0.80309343  0.66555921  1
  P  P68  1  0.90179366  0.75941542  0.43192828  1
  P  P69  1  0.89953969  0.19690657  0.16555921  1
  O  O70  1  0.01682642  0.67659085  0.86420455  1
  O  O71  1  0.00000000  0.42555449  0.75000000  1
  O  O72  1  -0.00004047  0.27058444  0.51552227  1
  O  O73  1  0.06346426  0.00684409  0.82801426  1
  O  O74  1  0.01682642  0.32340915  0.36420455  1
  O  O75  1  0.00000000  0.57444551  0.25000000  1
  O  O76  1  0.07159346  0.31807108  0.64014414  1
  O  O77  1  0.11500882  0.75535000  0.75677618  1
  O  O78  1  -0.00004047  0.72941556  0.01552227  1
  O  O79  1  0.06346426  0.99315591  0.32801426  1
  O  O80  1  0.13871607  0.04208129  0.58577790  1
  O  O81  1  0.20622375  0.76571887  0.87926153  1
  O  O82  1  0.07159346  0.68192892  0.14014414  1
  O  O83  1  0.19499119  0.33227386  0.90810407  1
  O  O84  1  0.11500882  0.24465000  0.25677618  1
  O  O85  1  0.21357668  0.40298473  0.76197770  1
  O  O86  1  0.19308979  0.63941565  0.64207954  1
  O  O87  1  0.18782820  0.35684958  0.53818392  1
  O  O88  1  0.13871607  0.95791871  0.08577790  1
  O  O89  1  0.20622375  0.23428113  0.37926153  1
  O  O90  1  0.19499119  0.66772614  0.40810407  1
  O  O91  1  0.26880200  0.07014116  0.74196950  1
  O  O92  1  0.21357668  0.59701527  0.26197770  1
  O  O93  1  0.19308979  0.36058435  0.14207954  1
  O  O94  1  0.32420361  0.05324256  0.94171581  1
  O  O95  1  0.18782820  0.64315042  0.03818392  1
  O  O96  1  0.27396213  0.72742289  0.53171199  1
  O  O97  1  0.32722136  0.31353842  0.66491630  1
  O  O98  1  0.26880200  0.92985884  0.24196950  1
  O  O99  1  0.38567620  0.38623274  0.93550473  1
  O  O100  1  0.32420361  0.94675744  0.44171581  1
  O  O101  1  0.40284249  0.32724557  0.79153248  1
  O  O102  1  0.27396213  0.27257711  0.03171199  1
  O  O103  1  0.40391107  0.76661934  0.82252343  1
  O  O104  1  0.32722136  0.68646158  0.16491630  1
  O  O105  1  0.40941592  0.67535778  0.65494324  1
  O  O106  1  0.39964695  0.39897541  0.55265116  1
  O  O107  1  0.38567620  0.61376726  0.43550473  1
  O  O108  1  0.48123661  0.74087404  0.94864585  1
  O  O109  1  0.40284249  0.67275443  0.29153248  1
  O  O110  1  0.40391107  0.23338066  0.32252343  1
  O  O111  1  0.45409320  0.99937369  0.61739310  1
  O  O112  1  0.40941592  0.32464222  0.15494324  1
  O  O113  1  0.39964695  0.60102459  0.05265116  1
  O  O114  1  0.54590680  0.99937369  0.88260690  1
  O  O115  1  0.48123661  0.25912596  0.44864585  1
  O  O116  1  0.51876339  0.74087404  0.55135415  1
  O  O117  1  0.45409320  0.00062631  0.11739310  1
  O  O118  1  0.60035305  0.39897541  0.94734884  1
  O  O119  1  0.59058408  0.67535778  0.84505676  1
  O  O120  1  0.54590680  0.00062631  0.38260690  1
  O  O121  1  0.59608893  0.76661934  0.67747657  1
  O  O122  1  0.59715751  0.32724557  0.70846752  1
  O  O123  1  0.51876339  0.25912596  0.05135415  1
  O  O124  1  0.61432380  0.38623274  0.56449527  1
  O  O125  1  0.60035305  0.60102459  0.44734884  1
  O  O126  1  0.59058408  0.32464222  0.34505676  1
  O  O127  1  0.67277864  0.31353842  0.83508370  1
  O  O128  1  0.59608893  0.23338066  0.17747657  1
  O  O129  1  0.72603787  0.72742289  0.96828801  1
  O  O130  1  0.59715751  0.67275443  0.20846752  1
  O  O131  1  0.67579639  0.05324256  0.55828419  1
  O  O132  1  0.61432380  0.61376726  0.06449527  1
  O  O133  1  0.73119800  0.07014116  0.75803050  1
  O  O134  1  0.67277864  0.68646158  0.33508370  1
  O  O135  1  0.72603787  0.27257711  0.46828801  1
  O  O136  1  0.81217180  0.35684958  0.96181608  1
  O  O137  1  0.67579639  0.94675744  0.05828419  1
  O  O138  1  0.80691021  0.63941565  0.85792046  1
  O  O139  1  0.78642332  0.40298473  0.73802230  1
  O  O140  1  0.73119800  0.92985884  0.25803050  1
  O  O141  1  0.80500881  0.33227386  0.59189593  1
  O  O142  1  0.79377625  0.76571887  0.62073847  1
  O  O143  1  0.86128393  0.04208129  0.91422210  1
  O  O144  1  0.81217180  0.64315042  0.46181608  1
  O  O145  1  0.80691021  0.36058435  0.35792046  1
  O  O146  1  0.78642332  0.59701527  0.23802230  1
  O  O147  1  0.88499118  0.75535000  0.74322382  1
  O  O148  1  0.80500881  0.66772614  0.09189593  1
  O  O149  1  0.92840654  0.31807108  0.85985586  1
  O  O150  1  0.79377625  0.23428113  0.12073847  1
  O  O151  1  0.86128393  0.95791871  0.41422210  1
  O  O152  1  0.93653574  0.00684409  0.67198574  1
  O  O153  1  0.00004047  0.27058444  0.98447773  1
  O  O154  1  0.88499118  0.24465000  0.24322382  1
  O  O155  1  0.92840654  0.68192892  0.35985586  1
  O  O156  1  0.98317358  0.67659085  0.63579545  1
  O  O157  1  0.93653574  0.99315591  0.17198574  1
  O  O158  1  0.00004047  0.72941556  0.48447773  1
  O  O159  1  0.98317358  0.32340915  0.13579545  1
