# generated using pymatgen
data_LiFe5(P2O7)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.45839900
_cell_length_b   10.72867943
_cell_length_c   12.72604808
_cell_angle_alpha   85.26791558
_cell_angle_beta   106.79908037
_cell_angle_gamma   115.98496526
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe5(P2O7)4
_chemical_formula_sum   'Li2 Fe10 P16 O56'
_cell_volume   1109.84000367
_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  0.50000000  0.50000000  0.00000000  1
  Li  Li1  1  0.50000000  0.50000000  0.50000000  1
  Fe  Fe2  1  0.51315700  0.75937000  0.07227300  1
  Fe  Fe3  1  0.91033600  0.28612500  0.37850300  1
  Fe  Fe4  1  0.09701000  0.70203000  0.10851900  1
  Fe  Fe5  1  0.08966400  0.71387500  0.62149700  1
  Fe  Fe6  1  0.17918700  0.98793300  0.25725400  1
  Fe  Fe7  1  0.90299000  0.29797000  0.89148100  1
  Fe  Fe8  1  0.48684300  0.24063000  0.92772700  1
  Fe  Fe9  1  0.82081300  0.01206700  0.74274600  1
  Fe  Fe10  1  0.51527700  0.25106500  0.43409100  1
  Fe  Fe11  1  0.48472300  0.74893500  0.56590900  1
  P  P12  1  0.18871500  0.45544700  0.59667800  1
  P  P13  1  0.83530700  0.70459500  0.20649400  1
  P  P14  1  0.56313800  0.19405700  0.68935100  1
  P  P15  1  0.43686200  0.80594300  0.31064900  1
  P  P16  1  0.20998700  0.45508600  0.09811700  1
  P  P17  1  0.29298100  0.95116100  0.53602600  1
  P  P18  1  0.20138900  0.29167800  0.29215300  1
  P  P19  1  0.30272900  0.96220800  0.04640200  1
  P  P20  1  0.79001300  0.54491400  0.90188300  1
  P  P21  1  0.54839200  0.19298700  0.19038600  1
  P  P22  1  0.79861100  0.70832200  0.70784700  1
  P  P23  1  0.16469300  0.29540500  0.79350600  1
  P  P24  1  0.69727100  0.03779200  0.95359800  1
  P  P25  1  0.45160800  0.80701300  0.80961400  1
  P  P26  1  0.70701900  0.04883900  0.46397400  1
  P  P27  1  0.81128500  0.54455300  0.40332200  1
  O  O28  1  0.04107100  0.14660300  0.74654500  1
  O  O29  1  0.13033900  0.14356600  0.24234800  1
  O  O30  1  0.25515600  0.38600100  0.70629100  1
  O  O31  1  0.47911100  0.72093300  0.90871900  1
  O  O32  1  0.30963100  0.81509300  0.52749800  1
  O  O33  1  0.32142700  0.04797300  0.94591000  1
  O  O34  1  0.35658800  0.54737500  0.05482200  1
  O  O35  1  0.93264500  0.67031200  0.70171000  1
  O  O36  1  0.69053600  0.69826700  0.10963400  1
  O  O37  1  0.92325300  0.66859600  0.48259500  1
  O  O38  1  0.64341200  0.45262500  0.94517800  1
  O  O39  1  0.07674700  0.33140400  0.51740500  1
  O  O40  1  0.10536300  0.53781900  0.62056500  1
  O  O41  1  0.71534000  0.18669600  0.96819400  1
  O  O42  1  0.55400500  0.28902600  0.59400600  1
  O  O43  1  0.89463700  0.46218100  0.37943500  1
  O  O44  1  0.95892900  0.85339700  0.25345500  1
  O  O45  1  0.85880800  0.08488600  0.42767900  1
  O  O46  1  0.70820200  0.59885400  0.78926600  1
  O  O47  1  0.47105800  0.03470200  0.14189500  1
  O  O48  1  0.50326700  0.77976400  0.22279400  1
  O  O49  1  0.44799100  0.18348400  0.27138800  1
  O  O50  1  0.55200900  0.81651600  0.72861200  1
  O  O51  1  0.08055500  0.32529600  0.02796000  1
  O  O52  1  0.73257600  0.19081100  0.73886200  1
  O  O53  1  0.52894200  0.96529800  0.85810500  1
  O  O54  1  0.69229800  0.96545100  0.56994900  1
  O  O55  1  0.67857300  0.95202700  0.05409000  1
  O  O56  1  0.34833000  0.54789700  0.56668200  1
  O  O57  1  0.30946400  0.30173300  0.89036600  1
  O  O58  1  0.07302600  0.37043800  0.81851600  1
  O  O59  1  0.28466000  0.81330400  0.03180600  1
  O  O60  1  0.49673300  0.22023600  0.77720600  1
  O  O61  1  0.26742400  0.80918900  0.26113800  1
  O  O62  1  0.66363300  0.68362700  0.59961400  1
  O  O63  1  0.86966100  0.85643400  0.75765200  1
  O  O64  1  0.54933800  0.96059800  0.36567300  1
  O  O65  1  0.86836000  0.45857700  0.87439500  1
  O  O66  1  0.06735500  0.32968800  0.29829000  1
  O  O67  1  0.27537800  0.77405400  0.75316100  1
  O  O68  1  0.92697400  0.62956200  0.18148400  1
  O  O69  1  0.69036900  0.18490700  0.47250200  1
  O  O70  1  0.33636700  0.31637300  0.40038600  1
  O  O71  1  0.13164000  0.54142300  0.12560500  1
  O  O72  1  0.14119200  0.91511400  0.57232100  1
  O  O73  1  0.44599500  0.71097400  0.40599400  1
  O  O74  1  0.83651200  0.05274000  0.90363500  1
  O  O75  1  0.91944500  0.67470400  0.97204000  1
  O  O76  1  0.52088900  0.27906700  0.09128100  1
  O  O77  1  0.72462200  0.22594600  0.24683900  1
  O  O78  1  0.45066200  0.03940200  0.63432700  1
  O  O79  1  0.16348800  0.94726000  0.09636500  1
  O  O80  1  0.29179800  0.40114600  0.21073400  1
  O  O81  1  0.30770200  0.03454900  0.43005100  1
  O  O82  1  0.74484400  0.61399900  0.29370900  1
  O  O83  1  0.65167000  0.45210300  0.43331800  1
