# generated using pymatgen
data_Li3Mn2(P2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.84700147
_cell_length_b   9.89224507
_cell_length_c   11.38770939
_cell_angle_alpha   90.03761726
_cell_angle_beta   102.80155981
_cell_angle_gamma   89.95132331
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Mn2(P2O7)2
_chemical_formula_sum   'Li12 Mn8 P16 O56'
_cell_volume   1081.69168088
_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  0.11739518  0.71120970  0.45179866  1
  Li  Li1  1  0.08639816  0.10295798  0.02790214  1
  Li  Li2  1  0.15217534  0.40793391  0.04321866  1
  Li  Li3  1  0.41250782  0.61209197  0.97217916  1
  Li  Li4  1  0.33829683  0.92773691  0.46289212  1
  Li  Li5  1  0.38713142  0.22385222  0.55233321  1
  Li  Li6  1  0.61769148  0.78842186  0.45232096  1
  Li  Li7  1  0.58581371  0.39651705  0.02837962  1
  Li  Li8  1  0.65296161  0.09173196  0.04273699  1
  Li  Li9  1  0.91204307  0.88854364  0.97250978  1
  Li  Li10  1  0.83929629  0.57156898  0.46373982  1
  Li  Li11  1  0.88704988  0.27629874  0.55294765  1
  Mn  Mn12  1  0.20760703  0.91995322  0.68189924  1
  Mn  Mn13  1  0.25734995  0.21256281  0.82443877  1
  Mn  Mn14  1  0.23969579  0.71817808  0.17004211  1
  Mn  Mn15  1  0.29554826  0.42781435  0.33335454  1
  Mn  Mn16  1  0.70767422  0.57945393  0.68210898  1
  Mn  Mn17  1  0.75727040  0.28711848  0.82469626  1
  Mn  Mn18  1  0.73947523  0.78239425  0.17040898  1
  Mn  Mn19  1  0.79565038  0.07253535  0.33378128  1
  P  P20  1  0.02322899  0.44804662  0.75448110  1
  P  P21  1  0.11679001  0.70549389  0.88717744  1
  P  P22  1  0.05779692  0.93007246  0.24417856  1
  P  P23  1  0.12358017  0.15030438  0.42344220  1
  P  P24  1  0.38114787  0.64920111  0.57490753  1
  P  P25  1  0.43990460  0.43037668  0.75900594  1
  P  P26  1  0.52328708  0.05180812  0.75450893  1
  P  P27  1  0.38020688  0.20890453  0.10935957  1
  P  P28  1  0.61709552  0.79457175  0.88730247  1
  P  P29  1  0.47335157  0.95103161  0.24078963  1
  P  P30  1  0.55788560  0.57021587  0.24413563  1
  P  P31  1  0.62353443  0.34980964  0.42334994  1
  P  P32  1  0.88100846  0.85041709  0.57494588  1
  P  P33  1  0.93986059  0.06951203  0.75902995  1
  P  P34  1  0.87996051  0.29100150  0.10923361  1
  P  P35  1  0.97295525  0.54908153  0.24054747  1
  O  O36  1  0.01832216  0.41294722  0.62607415  1
  O  O37  1  0.03462886  0.84035530  0.56553471  1
  O  O38  1  0.08637423  0.08589364  0.73202075  1
  O  O39  1  0.11257094  0.35419993  0.85149626  1
  O  O40  1  0.09007696  0.59489829  0.77723049  1
  O  O41  1  0.18392776  0.82206988  0.83392200  1
  O  O42  1  0.22066670  0.63516243  0.99498208  1
  O  O43  1  0.01969883  0.27367568  0.07730897  1
  O  O44  1  0.11574799  0.07583350  0.29533134  1
  O  O45  1  0.06288475  0.93206609  0.11254010  1
  O  O46  1  0.12559360  0.53392154  0.21804476  1
  O  O47  1  0.19046556  0.28658413  0.41139841  1
  O  O48  1  0.16097224  0.82290972  0.31203879  1
  O  O49  1  0.22017111  0.06388959  0.51918550  1
  O  O50  1  0.28514510  0.57545621  0.47201784  1
  O  O51  1  0.34232410  0.31504957  0.69967951  1
  O  O52  1  0.32014750  0.79088961  0.58681821  1
  O  O53  1  0.37168015  0.04295125  0.78276902  1
  O  O54  1  0.37845324  0.57144322  0.69866044  1
  O  O55  1  0.43710058  0.44124869  0.89062316  1
  O  O56  1  0.48111403  0.76792909  0.92012973  1
  O  O57  1  0.26979940  0.15374533  0.00014659  1
  O  O58  1  0.32087926  0.33221103  0.16194482  1
  O  O59  1  0.39887465  0.09642910  0.21650451  1
  O  O60  1  0.41054060  0.58609428  0.26980480  1
  O  O61  1  0.39352873  0.85102198  0.14897589  1
  O  O62  1  0.51852013  0.08696428  0.62619637  1
  O  O63  1  0.47229275  0.34108691  0.43906122  1
  O  O64  1  0.53479652  0.65854389  0.56553101  1
  O  O65  1  0.47481655  0.91672846  0.37027995  1
  O  O66  1  0.61234258  0.14565185  0.85172562  1
  O  O67  1  0.58624710  0.41370579  0.73162630  1
  O  O68  1  0.59061444  0.90507051  0.77743877  1
  O  O69  1  0.68407909  0.67781464  0.83394441  1
  O  O70  1  0.72081126  0.86479910  0.99531778  1
  O  O71  1  0.52007108  0.22591248  0.07767777  1
  O  O72  1  0.56249174  0.56754498  0.11242925  1
  O  O73  1  0.61582252  0.42438266  0.29544538  1
  O  O74  1  0.62620324  0.96640628  0.21877606  1
  O  O75  1  0.68948369  0.21290542  0.41104943  1
  O  O76  1  0.66150300  0.67720858  0.31168348  1
  O  O77  1  0.72081357  0.43553804  0.51919877  1
  O  O78  1  0.78531633  0.92439545  0.47203588  1
  O  O79  1  0.84237459  0.18487838  0.69953801  1
  O  O80  1  0.81935705  0.70911680  0.58683964  1
  O  O81  1  0.87173180  0.45671295  0.78300350  1
  O  O82  1  0.93662638  0.05903026  0.89059992  1
  O  O83  1  0.87858832  0.92844774  0.69870615  1
  O  O84  1  0.98089975  0.73255157  0.92005067  1
  O  O85  1  0.76940599  0.34640444  0.00023034  1
  O  O86  1  0.82084394  0.16781198  0.16183744  1
  O  O87  1  0.89875738  0.40365632  0.21635646  1
  O  O88  1  0.89262467  0.64920879  0.14906906  1
  O  O89  1  0.91016603  0.91491536  0.26946719  1
  O  O90  1  0.97217813  0.15970576  0.43890600  1
  O  O91  1  0.97475285  0.58319777  0.37017158  1
