# generated using pymatgen
data_Li6Fe5(P2O7)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.12298900
_cell_length_b   10.52983595
_cell_length_c   13.19485791
_cell_angle_alpha   88.17507626
_cell_angle_beta   107.10970294
_cell_angle_gamma   113.13966704
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li6Fe5(P2O7)4
_chemical_formula_sum   'Li12 Fe10 P16 O56'
_cell_volume   1108.91453621
_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  0.81876300  0.98968800  0.22287400  1
  Li  Li1  1  0.92263900  0.87455100  0.43956300  1
  Li  Li2  1  0.11369000  0.59308100  0.82446200  1
  Li  Li3  1  0.18123700  0.01031200  0.77712600  1
  Li  Li4  1  0.88631000  0.40691900  0.17553800  1
  Li  Li5  1  0.50000000  0.50000000  0.50000000  1
  Li  Li6  1  0.90140100  0.86663600  0.95235700  1
  Li  Li7  1  0.12444900  0.58554600  0.33122800  1
  Li  Li8  1  0.87555100  0.41445400  0.66877200  1
  Li  Li9  1  0.09859900  0.13336400  0.04764300  1
  Li  Li10  1  0.07736100  0.12544900  0.56043700  1
  Li  Li11  1  0.50000000  0.50000000  0.00000000  1
  Fe  Fe12  1  0.51527500  0.24507500  0.43322300  1
  Fe  Fe13  1  0.09820200  0.70940100  0.10693700  1
  Fe  Fe14  1  0.89878200  0.28650100  0.38827900  1
  Fe  Fe15  1  0.10121800  0.71349900  0.61172100  1
  Fe  Fe16  1  0.80406000  0.00701700  0.74044200  1
  Fe  Fe17  1  0.50487600  0.24302300  0.93245700  1
  Fe  Fe18  1  0.90179800  0.29059900  0.89306300  1
  Fe  Fe19  1  0.48472500  0.75492500  0.56677700  1
  Fe  Fe20  1  0.19594000  0.99298300  0.25955800  1
  Fe  Fe21  1  0.49512400  0.75697700  0.06754300  1
  P  P22  1  0.71291800  0.03922500  0.97121700  1
  P  P23  1  0.45685300  0.80969800  0.81612800  1
  P  P24  1  0.20264400  0.44451800  0.10045600  1
  P  P25  1  0.54314700  0.19030200  0.18387200  1
  P  P26  1  0.79735600  0.55548200  0.89954400  1
  P  P27  1  0.28739500  0.96401300  0.52864100  1
  P  P28  1  0.71260500  0.03598700  0.47135900  1
  P  P29  1  0.17959300  0.30462300  0.78979300  1
  P  P30  1  0.19231600  0.30008800  0.28936200  1
  P  P31  1  0.19269500  0.44131700  0.59751900  1
  P  P32  1  0.28708200  0.96077500  0.02878300  1
  P  P33  1  0.55893900  0.19209800  0.69190400  1
  P  P34  1  0.80768400  0.69991200  0.71063800  1
  P  P35  1  0.82040700  0.69537700  0.21020700  1
  P  P36  1  0.80730500  0.55868300  0.40248100  1
  P  P37  1  0.44106100  0.80790200  0.30809600  1
  O  O38  1  0.33478900  0.53902300  0.55865000  1
  O  O39  1  0.92493300  0.84862900  0.26162900  1
  O  O40  1  0.09843100  0.14857800  0.23544300  1
  O  O41  1  0.27902800  0.81470000  0.52292200  1
  O  O42  1  0.91786000  0.49099100  0.38122900  1
  O  O43  1  0.07506700  0.15137100  0.73837100  1
  O  O44  1  0.27279100  0.78441200  0.76112100  1
  O  O45  1  0.45586900  0.04271600  0.62171000  1
  O  O46  1  0.06552000  0.37604900  0.79989700  1
  O  O47  1  0.72228600  0.60823500  0.29106000  1
  O  O48  1  0.32753300  0.31683600  0.39467800  1
  O  O49  1  0.46531500  0.19460000  0.76873200  1
  O  O50  1  0.41866900  0.69694100  0.38656300  1
  O  O51  1  0.69748900  0.96353500  0.57269600  1
  O  O52  1  0.70920900  0.60456600  0.78911600  1
  O  O53  1  0.91286500  0.69493100  0.47509800  1
  O  O54  1  0.55801100  0.82852800  0.73740200  1
  O  O55  1  0.34007200  0.54165400  0.05794000  1
  O  O56  1  0.72600200  0.18920400  0.98148700  1
  O  O57  1  0.08713500  0.30506900  0.52490200  1
  O  O58  1  0.72097200  0.18530000  0.47707800  1
  O  O59  1  0.54413100  0.95728400  0.37829000  1
  O  O60  1  0.85453100  0.03668200  0.92716400  1
  O  O61  1  0.67246700  0.68316400  0.60532200  1
  O  O62  1  0.46291300  0.03612800  0.11915300  1
  O  O63  1  0.52526500  0.28895000  0.09881600  1
  O  O64  1  0.66521100  0.46097700  0.44135000  1
  O  O65  1  0.31616600  0.31913900  0.89339600  1
  O  O66  1  0.53468500  0.80540000  0.23126800  1
  O  O67  1  0.29079100  0.39543400  0.21088400  1
  O  O68  1  0.27771400  0.39176500  0.70894000  1
  O  O69  1  0.85957900  0.03427100  0.43737200  1
  O  O70  1  0.14042100  0.96572900  0.56262800  1
  O  O71  1  0.47473500  0.71105000  0.90118400  1
  O  O72  1  0.58133100  0.30305900  0.61343700  1
  O  O73  1  0.08214000  0.50900900  0.61877100  1
  O  O74  1  0.90833400  0.69169300  0.97193600  1
  O  O75  1  0.53708700  0.96387200  0.88084700  1
  O  O76  1  0.27399800  0.81079600  0.01851300  1
  O  O77  1  0.90602700  0.48746900  0.87582400  1
  O  O78  1  0.90156900  0.85142200  0.76455700  1
  O  O79  1  0.26994100  0.81920800  0.25238800  1
  O  O80  1  0.71095700  0.96202700  0.07024900  1
  O  O81  1  0.09397300  0.51253100  0.12417600  1
  O  O82  1  0.30251100  0.03646500  0.42730400  1
  O  O83  1  0.72720900  0.21558800  0.23887900  1
  O  O84  1  0.73005900  0.18079200  0.74761200  1
  O  O85  1  0.92953300  0.63676400  0.70120600  1
  O  O86  1  0.07046700  0.36323600  0.29879400  1
  O  O87  1  0.44198900  0.17147200  0.26259800  1
  O  O88  1  0.09166600  0.30830700  0.02806400  1
  O  O89  1  0.28904300  0.03797300  0.92975100  1
  O  O90  1  0.65992800  0.45834600  0.94206000  1
  O  O91  1  0.14546900  0.96331800  0.07283600  1
  O  O92  1  0.68383400  0.68086100  0.10660400  1
  O  O93  1  0.93448000  0.62395100  0.20010300  1
