# generated using pymatgen
data_Li7Fe4(P2O7)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.87131600
_cell_length_b   9.87953550
_cell_length_c   11.20992000
_cell_angle_alpha   102.27338379
_cell_angle_beta   89.97628929
_cell_angle_gamma   90.21797830
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li7Fe4(P2O7)4
_chemical_formula_sum   'Li14 Fe8 P16 O56'
_cell_volume   1068.24206753
_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  0.28616600  0.11382800  0.45104900  1
  Li  Li1  1  0.89377600  0.08510900  0.02963200  1
  Li  Li2  1  0.09388000  0.34760700  0.95492800  1
  Li  Li3  1  0.58865800  0.14762800  0.04079900  1
  Li  Li4  1  0.39061400  0.41319300  0.97105100  1
  Li  Li5  1  0.07805500  0.32778600  0.45359400  1
  Li  Li6  1  0.77804100  0.38103300  0.55236300  1
  Li  Li7  1  0.21900800  0.61287700  0.45006700  1
  Li  Li8  1  0.92084100  0.67160700  0.54781700  1
  Li  Li9  1  0.60487900  0.58774500  0.02867800  1
  Li  Li10  1  0.90528400  0.65542100  0.04208200  1
  Li  Li11  1  0.11003800  0.91396300  0.97255400  1
  Li  Li12  1  0.42782300  0.83809600  0.46326500  1
  Li  Li13  1  0.72050500  0.89745600  0.55325600  1
  Fe  Fe14  1  0.07726000  0.20128400  0.67702000  1
  Fe  Fe15  1  0.78354900  0.24861500  0.82028500  1
  Fe  Fe16  1  0.28682500  0.24254300  0.17679400  1
  Fe  Fe17  1  0.57339800  0.29420200  0.33175600  1
  Fe  Fe18  1  0.42229000  0.70590100  0.68445200  1
  Fe  Fe19  1  0.70913100  0.75732300  0.82470100  1
  Fe  Fe20  1  0.21831000  0.74530800  0.17089900  1
  Fe  Fe21  1  0.92599700  0.80122200  0.32486700  1
  P  P22  1  0.54478700  0.02373000  0.75436000  1
  P  P23  1  0.29414000  0.11875300  0.88913900  1
  P  P24  1  0.07144600  0.05899300  0.24377300  1
  P  P25  1  0.84723000  0.12499900  0.42282500  1
  P  P26  1  0.35433800  0.37980300  0.57119900  1
  P  P27  1  0.56930400  0.44171000  0.75695400  1
  P  P28  1  0.94910200  0.52347200  0.75987600  1
  P  P29  1  0.79336800  0.37953400  0.11415400  1
  P  P30  1  0.20325700  0.61989700  0.88420900  1
  P  P31  1  0.05003400  0.47464700  0.23831600  1
  P  P32  1  0.43155700  0.55836500  0.24512100  1
  P  P33  1  0.64731700  0.62165100  0.42733000  1
  P  P34  1  0.15215000  0.87682800  0.57714700  1
  P  P35  1  0.93031700  0.93916100  0.75794600  1
  P  P36  1  0.70618100  0.87967800  0.11042100  1
  P  P37  1  0.45243400  0.97410000  0.24279200  1
  O  O38  1  0.58495300  0.02277400  0.62513000  1
  O  O39  1  0.16546500  0.02313700  0.55580000  1
  O  O40  1  0.91122700  0.08407600  0.73000800  1
  O  O41  1  0.39821800  0.09517200  0.77371800  1
  O  O42  1  0.63631500  0.10874400  0.85497600  1
  O  O43  1  0.17338700  0.19040300  0.84072500  1
  O  O44  1  0.36469000  0.22347800  0.99640000  1
  O  O45  1  0.72565700  0.01960800  0.07941100  1
  O  O46  1  0.92464200  0.11609300  0.29438500  1
  O  O47  1  0.06809300  0.06487700  0.11024600  1
  O  O48  1  0.47183500  0.12638600  0.22049800  1
  O  O49  1  0.71262700  0.19557700  0.40425300  1
  O  O50  1  0.17669300  0.16502700  0.31240700  1
  O  O51  1  0.93199500  0.22396000  0.51950400  1
  O  O52  1  0.43535200  0.28890600  0.46760400  1
  O  O53  1  0.68473400  0.34927200  0.69650000  1
  O  O54  1  0.21535900  0.31284600  0.57820000  1
  O  O55  1  0.96350800  0.37683800  0.78951100  1
  O  O56  1  0.42761400  0.37718500  0.69846900  1
  O  O57  1  0.55881500  0.44169200  0.89101200  1
  O  O58  1  0.22742700  0.48340300  0.92040600  1
  O  O59  1  0.85804800  0.27431100  0.00665500  1
  O  O60  1  0.66980800  0.31567300  0.16781400  1
  O  O61  1  0.90029600  0.40582000  0.22669500  1
  O  O62  1  0.41990400  0.40919200  0.26988900  1
  O  O63  1  0.13866100  0.38211600  0.14167100  1
  O  O64  1  0.65445700  0.46974900  0.44037500  1
  O  O65  1  0.91060000  0.52059000  0.62795200  1
  O  O66  1  0.08815200  0.47691300  0.37009400  1
  O  O67  1  0.34464700  0.53385400  0.56419200  1
  O  O68  1  0.86113700  0.61627300  0.85623400  1
  O  O69  1  0.57920300  0.58967900  0.72818200  1
  O  O70  1  0.09826300  0.59297000  0.77052900  1
  O  O71  1  0.32578700  0.67947700  0.82795900  1
  O  O72  1  0.13618200  0.72407900  0.99061300  1
  O  O73  1  0.77049300  0.51743900  0.08011400  1
  O  O74  1  0.43260200  0.56164300  0.11137100  1
  O  O75  1  0.57859400  0.61728900  0.29600900  1
  O  O76  1  0.03997700  0.62238700  0.20987200  1
  O  O77  1  0.78687100  0.68685900  0.42165400  1
  O  O78  1  0.32551900  0.65822600  0.31563600  1
  O  O79  1  0.55845300  0.71643900  0.52285200  1
  O  O80  1  0.06785600  0.77537800  0.48200700  1
  O  O81  1  0.82591500  0.83302100  0.68835500  1
  O  O82  1  0.29209600  0.80966200  0.59011000  1
  O  O83  1  0.53084000  0.87077600  0.77565100  1
  O  O84  1  0.93364300  0.93564300  0.89163400  1
  O  O85  1  0.07833500  0.88427400  0.70633900  1
  O  O86  1  0.26734600  0.98187600  0.91982600  1
  O  O87  1  0.64764800  0.77201400  0.00161900  1
  O  O88  1  0.83039900  0.81777300  0.16156800  1
  O  O89  1  0.35501300  0.89196500  0.14999100  1
  O  O90  1  0.59829300  0.89968900  0.22240800  1
  O  O91  1  0.09024900  0.91425200  0.27122700  1
  O  O92  1  0.83334000  0.97787300  0.44239400  1
  O  O93  1  0.41670400  0.97716400  0.37455000  1
