# generated using pymatgen
data_Li3Fe2(P2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.84059578
_cell_length_b   9.85234160
_cell_length_c   11.22640357
_cell_angle_alpha   90.01312460
_cell_angle_beta   102.24844955
_cell_angle_gamma   90.12380647
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Fe2(P2O7)2
_chemical_formula_sum   'Li12 Fe8 P16 O56'
_cell_volume   1063.65360663
_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  0.08645051  0.10418367  0.02868150  1
  Li  Li1  1  0.14796663  0.39057368  0.03897951  1
  Li  Li2  1  0.41298540  0.61491968  0.97157898  1
  Li  Li3  1  0.31280496  0.90669611  0.44284836  1
  Li  Li4  1  0.38109953  0.22292780  0.55184711  1
  Li  Li5  1  0.61807891  0.78264400  0.45441754  1
  Li  Li6  1  0.67371320  0.08182470  0.54505443  1
  Li  Li7  1  0.58868627  0.39761285  0.02912744  1
  Li  Li8  1  0.64564106  0.09321462  0.04225870  1
  Li  Li9  1  0.90745147  0.89525074  0.96869766  1
  Li  Li10  1  0.89852926  0.55303802  0.50587874  1
  Li  Li11  1  0.89702884  0.27590992  0.54794894  1
  Fe  Fe12  1  0.20530837  0.91703394  0.67697344  1
  Fe  Fe13  1  0.25236405  0.20881473  0.82263286  1
  Fe  Fe14  1  0.24553849  0.70668270  0.17507629  1
  Fe  Fe15  1  0.29412267  0.42665346  0.33713757  1
  Fe  Fe16  1  0.70388652  0.57968867  0.68215032  1
  Fe  Fe17  1  0.75310350  0.28984639  0.82375697  1
  Fe  Fe18  1  0.74374263  0.77925713  0.16673951  1
  Fe  Fe19  1  0.80091186  0.06939194  0.32426493  1
  P  P20  1  0.02013738  0.45215711  0.75561421  1
  P  P21  1  0.11746064  0.71172234  0.88302231  1
  P  P22  1  0.05902025  0.92275953  0.23820672  1
  P  P23  1  0.12653855  0.14469294  0.42335954  1
  P  P24  1  0.37694073  0.64796591  0.57306486  1
  P  P25  1  0.43795333  0.43098741  0.75849028  1
  P  P26  1  0.52054070  0.05179415  0.75419020  1
  P  P27  1  0.37903865  0.20961200  0.11867729  1
  P  P28  1  0.61820473  0.79730107  0.87940534  1
  P  P29  1  0.47389806  0.94562892  0.24287942  1
  P  P30  1  0.55862458  0.57484937  0.24360655  1
  P  P31  1  0.62455760  0.35924487  0.42954874  1
  P  P32  1  0.87915190  0.85117004  0.58111409  1
  P  P33  1  0.93743794  0.07127331  0.75725808  1
  P  P34  1  0.87875285  0.29078390  0.11228065  1
  P  P35  1  0.97536813  0.55033127  0.24494755  1
  O  O36  1  0.01634891  0.42066463  0.62325562  1
  O  O37  1  0.03059267  0.84776615  0.57071072  1
  O  O38  1  0.08519192  0.07828534  0.72895161  1
  O  O39  1  0.10067066  0.59521464  0.77997557  1
  O  O40  1  0.10213214  0.35576988  0.85158937  1
  O  O41  1  0.19316443  0.82301661  0.82592532  1
  O  O42  1  0.21796499  0.65032497  0.00096737  1
  O  O43  1  0.02034884  0.26702900  0.08517447  1
  O  O44  1  0.12195507  0.06581465  0.29648745  1
  O  O45  1  0.06031948  0.93257894  0.10422064  1
  O  O46  1  0.13012089  0.53236075  0.21916700  1
  O  O47  1  0.19998256  0.27957423  0.40854269  1
  O  O48  1  0.16996427  0.81495208  0.29616377  1
  O  O49  1  0.22270743  0.05839049  0.52130668  1
  O  O50  1  0.29457158  0.56685681  0.46624601  1
  O  O51  1  0.34576817  0.31289968  0.69955750  1
  O  O52  1  0.31443069  0.78904837  0.58656434  1
  O  O53  1  0.36668122  0.03298767  0.76862639  1
  O  O54  1  0.37075939  0.56982119  0.69684442  1
  O  O55  1  0.43791000  0.44319797  0.89242921  1
  O  O56  1  0.48156184  0.76338023  0.90799436  1
  O  O57  1  0.26929292  0.16479340  0.00516907  1
  O  O58  1  0.31709808  0.32857783  0.17997483  1
  O  O59  1  0.39326220  0.08862107  0.21819716  1
  O  O60  1  0.40390685  0.58260512  0.26223105  1
  O  O61  1  0.38438974  0.84107106  0.15780346  1
  O  O62  1  0.47222320  0.34780191  0.44282079  1
  O  O63  1  0.52687851  0.09760829  0.62632050  1
  O  O64  1  0.47954541  0.91849386  0.37724085  1
  O  O65  1  0.53255864  0.66221394  0.56847264  1
  O  O66  1  0.60208661  0.14112791  0.85665313  1
  O  O67  1  0.58630143  0.42269444  0.72980844  1
  O  O68  1  0.59293438  0.90564853  0.76679729  1
  O  O69  1  0.68983582  0.68135427  0.82369313  1
  O  O70  1  0.71894317  0.86683197  0.98823876  1
  O  O71  1  0.51998512  0.23400405  0.09112139  1
  O  O72  1  0.56539882  0.57092473  0.11054523  1
  O  O73  1  0.61622844  0.43015588  0.29853943  1
  O  O74  1  0.61812700  0.95984216  0.20889939  1
  O  O75  1  0.69250449  0.22083710  0.42245259  1
  O  O76  1  0.65032351  0.68702661  0.31158863  1
  O  O77  1  0.71811106  0.44829702  0.52587433  1
  O  O78  1  0.78028034  0.93298547  0.48201775  1
  O  O79  1  0.83734543  0.17930661  0.68694080  1
  O  O80  1  0.81747961  0.70850193  0.59147771  1
  O  O81  1  0.86829803  0.46964037  0.77665425  1
  O  O82  1  0.93399865  0.07341736  0.89076340  1
  O  O83  1  0.87284915  0.92610546  0.70763625  1
  O  O84  1  0.97956609  0.74527581  0.90735198  1
  O  O85  1  0.77229869  0.34618935  0.00104771  1
  O  O86  1  0.81436041  0.16790546  0.16425771  1
  O  O87  1  0.89765596  0.64871269  0.14992485  1
  O  O88  1  0.89931180  0.40350600  0.21893655  1
  O  O89  1  0.91647977  0.90435197  0.27003952  1
  O  O90  1  0.97847297  0.16086836  0.44030240  1
  O  O91  1  0.97824335  0.57877980  0.37535887  1
