# generated using pymatgen
data_Li3Fe2(P2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.83933100
_cell_length_b   9.84873856
_cell_length_c   11.15926781
_cell_angle_alpha   102.02070547
_cell_angle_beta   90.22298100
_cell_angle_gamma   89.95872430
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Fe2(P2O7)2
_chemical_formula_sum   'Li12 Fe8 P16 O56'
_cell_volume   1057.66855732
_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  0.28387800  0.87773700  0.54801800  1
  Li  Li1  1  0.89265100  0.91329700  0.97253800  1
  Li  Li2  1  0.60023200  0.85172900  0.95966900  1
  Li  Li3  1  0.38646100  0.58624400  0.03009000  1
  Li  Li4  1  0.78668100  0.62040700  0.44884300  1
  Li  Li5  1  0.21711700  0.39111800  0.54623000  1
  Li  Li6  1  0.92894400  0.33837100  0.46610200  1
  Li  Li7  1  0.60370200  0.41160200  0.97142400  1
  Li  Li8  1  0.90832700  0.35322900  0.95586300  1
  Li  Li9  1  0.10455200  0.08930600  0.02850900  1
  Li  Li10  1  0.43008900  0.15728000  0.53412600  1
  Li  Li11  1  0.72078700  0.10486200  0.45061500  1
  Fe  Fe12  1  0.07420300  0.78951600  0.32462300  1
  Fe  Fe13  1  0.79209000  0.74832400  0.17847200  1
  Fe  Fe14  1  0.28941400  0.75061500  0.82596400  1
  Fe  Fe15  1  0.57630100  0.70706100  0.66471200  1
  Fe  Fe16  1  0.42489500  0.29403000  0.31487200  1
  Fe  Fe17  1  0.71035800  0.24408900  0.17525900  1
  Fe  Fe18  1  0.21360100  0.25762500  0.83244900  1
  Fe  Fe19  1  0.92904100  0.20011500  0.67699200  1
  P  P20  1  0.54986300  0.97604300  0.24506200  1
  P  P21  1  0.28741900  0.88189500  0.11800900  1
  P  P22  1  0.07621900  0.94112300  0.76008900  1
  P  P23  1  0.85311700  0.87549100  0.57230300  1
  P  P24  1  0.35133700  0.62209600  0.42449000  1
  P  P25  1  0.57304500  0.56038200  0.24051900  1
  P  P26  1  0.94784200  0.47383400  0.24286300  1
  P  P27  1  0.79044800  0.62024000  0.88431400  1
  P  P28  1  0.20346700  0.38021400  0.11785900  1
  P  P29  1  0.04979900  0.52364100  0.75449400  1
  P  P30  1  0.42769400  0.44052700  0.75627700  1
  P  P31  1  0.64698800  0.37996200  0.57312000  1
  P  P32  1  0.15155700  0.11965000  0.42187100  1
  P  P33  1  0.92969800  0.06234700  0.24289800  1
  P  P34  1  0.70694300  0.12081800  0.88755400  1
  P  P35  1  0.44944900  0.02589600  0.75724000  1
  O  O36  1  0.58641900  0.97717100  0.37579500  1
  O  O37  1  0.15936100  0.96893300  0.43830200  1
  O  O38  1  0.91983000  0.91449900  0.27021600  1
  O  O39  1  0.40302900  0.90194000  0.22302100  1
  O  O40  1  0.64063800  0.89124200  0.14470700  1
  O  O41  1  0.17364200  0.81161200  0.17681500  1
  O  O42  1  0.34922200  0.77836500  0.00093000  1
  O  O43  1  0.72837100  0.97889400  0.91611000  1
  O  O44  1  0.93886400  0.87449900  0.69579200  1
  O  O45  1  0.06184500  0.93753500  0.89369600  1
  O  O46  1  0.46754800  0.87263200  0.78389800  1
  O  O47  1  0.71814900  0.80466100  0.59442900  1
  O  O48  1  0.19594600  0.84327800  0.70628600  1
  O  O49  1  0.92830800  0.78346300  0.46545900  1
  O  O50  1  0.42795700  0.71159900  0.53348400  1
  O  O51  1  0.68982200  0.65322600  0.30061600  1
  O  O52  1  0.21578400  0.69335600  0.40904000  1
  O  O53  1  0.96576500  0.62666100  0.22495100  1
  O  O54  1  0.43385300  0.62532600  0.30193000  1
  O  O55  1  0.55921500  0.56096100  0.10619600  1
  O  O56  1  0.23410100  0.51677400  0.08663900  1
  O  O57  1  0.83984300  0.72950400  0.99640100  1
  O  O58  1  0.66804200  0.68285000  0.82518100  1
  O  O59  1  0.90655700  0.60433000  0.78074500  1
  O  O60  1  0.41476400  0.59344000  0.73440400  1
  O  O61  1  0.15379600  0.61642400  0.83972500  1
  O  O62  1  0.65386200  0.53129100  0.55670400  1
  O  O63  1  0.90244800  0.46977600  0.37123600  1
  O  O64  1  0.07541400  0.50964400  0.62029800  1
  O  O65  1  0.33917400  0.46792000  0.43179900  1
  O  O66  1  0.86000100  0.38856400  0.14062300  1
  O  O67  1  0.58188100  0.41208300  0.26997900  1
  O  O68  1  0.09585900  0.40369700  0.23065700  1
  O  O69  1  0.32234100  0.31139500  0.17386300  1
  O  O70  1  0.13452200  0.27758800  0.00965400  1
  O  O71  1  0.76711200  0.48024800  0.91353300  1
  O  O72  1  0.42923200  0.43531900  0.89005600  1
  O  O73  1  0.57553200  0.38777500  0.70451100  1
  O  O74  1  0.03785900  0.38199400  0.79639100  1
  O  O75  1  0.78603400  0.31503800  0.58270200  1
  O  O76  1  0.32239100  0.34074800  0.68373800  1
  O  O77  1  0.55841200  0.28350700  0.47732500  1
  O  O78  1  0.06810400  0.21753200  0.51943800  1
  O  O79  1  0.82374300  0.16371300  0.31353400  1
  O  O80  1  0.29308800  0.18454600  0.41104700  1
  O  O81  1  0.53457200  0.12908400  0.22340100  1
  O  O82  1  0.92871700  0.06699200  0.10860800  1
  O  O83  1  0.07804800  0.11828300  0.29309900  1
  O  O84  1  0.25743100  0.01820200  0.08661300  1
  O  O85  1  0.64847400  0.22662000  0.99718800  1
  O  O86  1  0.83047100  0.18416900  0.83671400  1
  O  O87  1  0.35404400  0.11065700  0.84989800  1
  O  O88  1  0.59665700  0.09971000  0.77585700  1
  O  O89  1  0.09326600  0.08569800  0.73011200  1
  O  O90  1  0.83569900  0.02612900  0.56175000  1
  O  O91  1  0.41425800  0.01874200  0.62415300  1
