# generated using pymatgen
data_Li5Fe4(P2O7)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.78187100
_cell_length_b   9.83334760
_cell_length_c   11.12405407
_cell_angle_alpha   89.94449577
_cell_angle_beta   78.26536576
_cell_angle_gamma   89.83945725
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li5Fe4(P2O7)4
_chemical_formula_sum   'Li10 Fe8 P16 O56'
_cell_volume   1047.63921365
_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  0.08763000  0.88906000  0.97496600  1
  Li  Li1  1  0.40974000  0.38900600  0.02501800  1
  Li  Li2  1  0.38713500  0.79370800  0.45360000  1
  Li  Li3  1  0.61000500  0.20316600  0.54021700  1
  Li  Li4  1  0.58996700  0.60374900  0.96755200  1
  Li  Li5  1  0.85727700  0.41021400  0.04532000  1
  Li  Li6  1  0.64429200  0.90846000  0.95207900  1
  Li  Li7  1  0.90921200  0.10571900  0.03187400  1
  Li  Li8  1  0.87430100  0.43847000  0.50928800  1
  Li  Li9  1  0.88513400  0.72034500  0.45540700  1
  Fe  Fe10  1  0.20924100  0.08358300  0.33449300  1
  Fe  Fe11  1  0.24882300  0.79858000  0.17906400  1
  Fe  Fe12  1  0.25130700  0.29354700  0.82282900  1
  Fe  Fe13  1  0.28977400  0.57682200  0.66890500  1
  Fe  Fe14  1  0.70042500  0.42312900  0.32266200  1
  Fe  Fe15  1  0.75385800  0.71549200  0.17415800  1
  Fe  Fe16  1  0.74689200  0.21630300  0.82348800  1
  Fe  Fe17  1  0.79359100  0.92943100  0.67126200  1
  P  P18  1  0.02157100  0.54912300  0.25008900  1
  P  P19  1  0.11953000  0.28900700  0.11756500  1
  P  P20  1  0.05960300  0.07521200  0.76356600  1
  P  P21  1  0.12403700  0.85670400  0.57433400  1
  P  P22  1  0.37528000  0.35491000  0.42764300  1
  P  P23  1  0.43855000  0.57298900  0.23759600  1
  P  P24  1  0.52630600  0.94701600  0.24143400  1
  P  P25  1  0.37974200  0.78832100  0.88316400  1
  P  P26  1  0.61571600  0.20595900  0.11635600  1
  P  P27  1  0.47254500  0.05179000  0.75361900  1
  P  P28  1  0.56113800  0.42407100  0.75710200  1
  P  P29  1  0.62271500  0.64840000  0.57567600  1
  P  P30  1  0.87859400  0.14474600  0.42657400  1
  P  P31  1  0.93765100  0.92450100  0.24293900  1
  P  P32  1  0.88262700  0.70899200  0.88193800  1
  P  P33  1  0.97466100  0.44820400  0.75866000  1
  O  O34  1  0.00316800  0.56772500  0.38649700  1
  O  O35  1  0.03129100  0.15038500  0.43516000  1
  O  O36  1  0.09142200  0.91895400  0.26531100  1
  O  O37  1  0.11070300  0.41247400  0.21457100  1
  O  O38  1  0.10618400  0.65989900  0.16985100  1
  O  O39  1  0.17976800  0.17295300  0.18140400  1
  O  O40  1  0.22272300  0.33812300  0.99859700  1
  O  O41  1  0.02152100  0.73888400  0.90992000  1
  O  O42  1  0.12873400  0.94051200  0.69644900  1
  O  O43  1  0.05758700  0.05801500  0.89840900  1
  O  O44  1  0.13046600  0.46551800  0.77710200  1
  O  O45  1  0.19060900  0.71938700  0.59405600  1
  O  O46  1  0.15516800  0.19534400  0.71385300  1
  O  O47  1  0.21495000  0.92857400  0.46500700  1
  O  O48  1  0.29501400  0.43700900  0.53427200  1
  O  O49  1  0.34654100  0.69553000  0.29262400  1
  O  O50  1  0.31585000  0.21708400  0.40534900  1
  O  O51  1  0.36918800  0.96422300  0.22274700  1
  O  O52  1  0.37044800  0.43868300  0.30316300  1
  O  O53  1  0.43765000  0.56089500  0.10314400  1
  O  O54  1  0.47635900  0.23893500  0.09144600  1
  O  O55  1  0.27433100  0.83443600  0.00263200  1
  O  O56  1  0.32178600  0.67138300  0.81833500  1
  O  O57  1  0.38711000  0.91191200  0.78728900  1
  O  O58  1  0.40747000  0.41533000  0.73552500  1
  O  O59  1  0.39241200  0.15783400  0.84430300  1
  O  O60  1  0.47050100  0.66084300  0.56200700  1
  O  O61  1  0.53440100  0.90087200  0.36749400  1
  O  O62  1  0.47677300  0.08057800  0.62176700  1
  O  O63  1  0.53339200  0.34208600  0.43083900  1
  O  O64  1  0.60821300  0.86215500  0.13426100  1
  O  O65  1  0.58794200  0.58191800  0.26742500  1
  O  O66  1  0.59749100  0.09624600  0.22653600  1
  O  O67  1  0.69077600  0.32678800  0.16820200  1
  O  O68  1  0.71987000  0.14336900  0.00456400  1
  O  O69  1  0.52170200  0.76631800  0.91084400  1
  O  O70  1  0.56835600  0.42776900  0.89098800  1
  O  O71  1  0.61927700  0.56837800  0.70292500  1
  O  O72  1  0.62221200  0.02747400  0.78522200  1
  O  O73  1  0.69507000  0.78223300  0.59263100  1
  O  O74  1  0.65572000  0.31240800  0.68873700  1
  O  O75  1  0.71571700  0.56256500  0.47433100  1
  O  O76  1  0.78378700  0.07165500  0.53348300  1
  O  O77  1  0.84925700  0.80639500  0.30591200  1
  O  O78  1  0.81441000  0.28605900  0.40790600  1
  O  O79  1  0.87552000  0.52643100  0.21173100  1
  O  O80  1  0.93125600  0.93200400  0.10923300  1
  O  O81  1  0.87109000  0.06389700  0.30223000  1
  O  O82  1  0.97684100  0.26680500  0.09108300  1
  O  O83  1  0.77748700  0.64611300  0.99365200  1
  O  O84  1  0.80954400  0.82972500  0.82837500  1
  O  O85  1  0.89302100  0.36270100  0.86534700  1
  O  O86  1  0.90235300  0.59804000  0.77315100  1
  O  O87  1  0.91138700  0.08425700  0.73234000  1
  O  O88  1  0.96906300  0.84519400  0.56605600  1
  O  O89  1  0.96480200  0.40382500  0.63327600  1
