# generated using pymatgen
data_Li5CrFe4(P2O7)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.88741771
_cell_length_b   7.01490655
_cell_length_c   41.04140217
_cell_angle_alpha   90.03579504
_cell_angle_beta   90.01856901
_cell_angle_gamma   109.11834730
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li5CrFe4(P2O7)5
_chemical_formula_sum   'Li10 Cr2 Fe8 P20 O70'
_cell_volume   1329.48527694
_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
  Li  Li0  1  0.81323493  0.81534740  0.02311600  1
  Li  Li1  1  0.81325768  0.81595401  0.22318151  1
  Li  Li2  1  0.81325619  0.81596061  0.42318326  1
  Li  Li3  1  0.81349774  0.81601681  0.62318727  1
  Li  Li4  1  0.81345819  0.81535610  0.82312090  1
  Li  Li5  1  0.18670987  0.18398093  0.12316864  1
  Li  Li6  1  0.18668393  0.18397375  0.32318280  1
  Li  Li7  1  0.18670585  0.18400513  0.52318926  1
  Li  Li8  1  0.18787020  0.18513434  0.72318388  1
  Li  Li9  1  0.18791011  0.18510473  0.92317122  1
  Cr  Cr10  1  0.78448624  0.77195704  0.74975789  1
  Cr  Cr11  1  0.78451967  0.77191690  0.94974493  1
  Fe  Fe12  1  0.21758369  0.23265423  0.04969471  1
  Fe  Fe13  1  0.21769652  0.23235674  0.24976112  1
  Fe  Fe14  1  0.21766552  0.23236342  0.44975937  1
  Fe  Fe15  1  0.21779880  0.23305771  0.64990079  1
  Fe  Fe16  1  0.21762408  0.23337687  0.84984423  1
  Fe  Fe17  1  0.78242776  0.76768469  0.14976218  1
  Fe  Fe18  1  0.78237814  0.76763771  0.34975933  1
  Fe  Fe19  1  0.78238874  0.76767093  0.54977500  1
  P  P20  1  0.60280443  0.98097453  0.08615399  1
  P  P21  1  0.60268796  0.98093707  0.28616655  1
  P  P22  1  0.60268215  0.98092205  0.48617398  1
  P  P23  1  0.60212196  0.97974740  0.68614528  1
  P  P24  1  0.60221883  0.97981188  0.88612236  1
  P  P25  1  0.39730036  0.01901649  0.18616362  1
  P  P26  1  0.39729305  0.01900893  0.38616663  1
  P  P27  1  0.39721907  0.01906918  0.58619566  1
  P  P28  1  0.39692394  0.01826851  0.78614055  1
  P  P29  1  0.39701336  0.01821449  0.98610354  1
  P  P30  1  0.78868362  0.41474098  0.00617476  1
  P  P31  1  0.78954994  0.41475220  0.20643953  1
  P  P32  1  0.78953521  0.41473747  0.40644339  1
  P  P33  1  0.78947045  0.41469719  0.60645115  1
  P  P34  1  0.78858868  0.41467666  0.80618895  1
  P  P35  1  0.21049890  0.58539485  0.10643431  1
  P  P36  1  0.21041818  0.58531286  0.30643104  1
  P  P37  1  0.21044265  0.58533605  0.50643661  1
  P  P38  1  0.21084055  0.58614174  0.70679764  1
  P  P39  1  0.21089645  0.58617493  0.90678986  1
  O  O40  1  0.81301292  0.01879312  0.05732222  1
  O  O41  1  0.81278831  0.01885553  0.25735464  1
  O  O42  1  0.81280145  0.01885941  0.45735408  1
  O  O43  1  0.81338709  0.01895866  0.65742655  1
  O  O44  1  0.81356129  0.01886660  0.85739539  1
  O  O45  1  0.18702442  0.98099625  0.15734398  1
  O  O46  1  0.18703269  0.98097971  0.35734567  1
  O  O47  1  0.18699297  0.98098939  0.55737048  1
  O  O48  1  0.18573680  0.98045842  0.75735306  1
  O  O49  1  0.18576142  0.98045241  0.95733221  1
  O  O50  1  0.13194843  0.38383140  0.08819367  1
  O  O51  1  0.13180795  0.38381295  0.28821426  1
  O  O52  1  0.13181768  0.38380110  0.48821454  1
  O  O53  1  0.13145331  0.38435934  0.68848059  1
  O  O54  1  0.13155682  0.38437794  0.88846107  1
  O  O55  1  0.86808136  0.61609437  0.18823306  1
  O  O56  1  0.86808124  0.61609272  0.38823274  1
  O  O57  1  0.86806573  0.61605455  0.58824570  1
  O  O58  1  0.86767427  0.61563079  0.78796531  1
  O  O59  1  0.86769823  0.61565654  0.98795434  1
  O  O60  1  0.24446001  0.00651660  0.01907742  1
  O  O61  1  0.24338500  0.00749007  0.21906691  1
  O  O62  1  0.24337215  0.00749051  0.41906654  1
  O  O63  1  0.24350209  0.00778067  0.61910874  1
  O  O64  1  0.24455194  0.00676921  0.81911535  1
  O  O65  1  0.75669576  0.99261777  0.11905500  1
  O  O66  1  0.75666213  0.99255477  0.31907742  1
  O  O67  1  0.75667324  0.99255683  0.51907836  1
  O  O68  1  0.75597812  0.99093801  0.71912750  1
  O  O69  1  0.75599427  0.99096781  0.91910846  1
  O  O70  1  0.05452016  0.35792501  0.01473755  1
  O  O71  1  0.05553882  0.35800969  0.21480524  1
  O  O72  1  0.05553378  0.35801033  0.41480564  1
  O  O73  1  0.05542497  0.35796328  0.61484831  1
  O  O74  1  0.05438055  0.35789639  0.81477881  1
  O  O75  1  0.94441195  0.64189533  0.11478594  1
  O  O76  1  0.94439241  0.64194434  0.31478946  1
  O  O77  1  0.94439832  0.64194474  0.51479471  1
  O  O78  1  0.94383927  0.64251824  0.71483633  1
  O  O79  1  0.94385635  0.64245207  0.91482905  1
  O  O80  1  0.60326287  0.41948199  0.03615297  1
  O  O81  1  0.60374524  0.41965261  0.23633257  1
  O  O82  1  0.60375111  0.41965166  0.43633275  1
  O  O83  1  0.60356750  0.41959334  0.63634150  1
  O  O84  1  0.60304847  0.41942118  0.83616156  1
  O  O85  1  0.39633071  0.58041390  0.13632213  1
  O  O86  1  0.39631857  0.58042930  0.33632671  1
  O  O87  1  0.39635330  0.58043545  0.53633018  1
  O  O88  1  0.39781865  0.58088737  0.73656512  1
  O  O89  1  0.39779012  0.58084864  0.93655745  1
  O  O90  1  0.40247276  0.74860899  0.08041292  1
  O  O91  1  0.40239401  0.74856600  0.28041795  1
  O  O92  1  0.40239586  0.74857232  0.48042022  1
  O  O93  1  0.40224621  0.74803696  0.68042675  1
  O  O94  1  0.40230688  0.74805543  0.88042187  1
  O  O95  1  0.59739285  0.25130226  0.18041605  1
  O  O96  1  0.59739764  0.25129749  0.38041706  1
  O  O97  1  0.59747648  0.25131693  0.58041804  1
  O  O98  1  0.59636103  0.25029928  0.78026516  1
  O  O99  1  0.59629594  0.25027931  0.98026327  1
  O  O100  1  0.40431359  0.11065651  0.08603047  1
  O  O101  1  0.40420970  0.11056415  0.28607749  1
  O  O102  1  0.40421615  0.11057606  0.48607707  1
  O  O103  1  0.40537051  0.11069615  0.68618603  1
  O  O104  1  0.40545946  0.11076231  0.88614303  1
  O  O105  1  0.59579521  0.88944065  0.18608368  1
  O  O106  1  0.59580229  0.88942970  0.38608614  1
  O  O107  1  0.59573163  0.88945882  0.58610444  1
  O  O108  1  0.59605626  0.88884067  0.78593857  1
  O  O109  1  0.59611981  0.88881619  0.98592086  1
