# generated using pymatgen
data_LiVFe(P2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.19181000
_cell_length_b   9.73441760
_cell_length_c   16.94434494
_cell_angle_alpha   102.12443969
_cell_angle_beta   96.13308242
_cell_angle_gamma   111.36752253
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiVFe(P2O7)2
_chemical_formula_sum   'Li4 V4 Fe4 P16 O56'
_cell_volume   1057.93062264
_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  0.29324400  0.96577900  0.43176900  1
  Li  Li1  1  0.26253400  0.59224400  0.68072400  1
  Li  Li2  1  0.01374800  0.34419000  0.18131600  1
  Li  Li3  1  0.54141700  0.21553600  0.93154400  1
  V  V4  1  0.15795600  0.87845500  0.24711000  1
  V  V5  1  0.90588300  0.63317700  0.75351900  1
  V  V6  1  0.65550600  0.38465300  0.25394500  1
  V  V7  1  0.40784500  0.12987800  0.74774800  1
  Fe  Fe8  1  0.72860100  0.99497700  0.50474200  1
  Fe  Fe9  1  0.46976400  0.74459600  0.00326100  1
  Fe  Fe10  1  0.21539300  0.49029700  0.49705600  1
  Fe  Fe11  1  0.97436300  0.24102200  0.99875500  1
  P  P12  1  0.33095000  0.85473100  0.59039400  1
  P  P13  1  0.08227000  0.60393200  0.08928500  1
  P  P14  1  0.79272000  0.87805200  0.89071400  1
  P  P15  1  0.54429800  0.63095800  0.39103000  1
  P  P16  1  0.97235900  0.88552200  0.64244800  1
  P  P17  1  0.72355200  0.63610100  0.14171900  1
  P  P18  1  0.38312900  0.85965000  0.84204100  1
  P  P19  1  0.13392100  0.61057900  0.34137300  1
  P  P20  1  0.83526400  0.35547600  0.58879000  1
  P  P21  1  0.58418300  0.10589400  0.08982200  1
  P  P22  1  0.29219000  0.38128000  0.88964000  1
  P  P23  1  0.04048400  0.12850900  0.38941300  1
  P  P24  1  0.47725400  0.38796200  0.64196400  1
  P  P25  1  0.22546400  0.13725600  0.14233300  1
  P  P26  1  0.87792800  0.35722700  0.83839100  1
  P  P27  1  0.62668700  0.10649900  0.33874600  1
  O  O28  1  0.55396700  0.94494200  0.09007600  1
  O  O29  1  0.45491600  0.98665400  0.26900900  1
  O  O30  1  0.13464900  0.98628000  0.16623700  1
  O  O31  1  0.80574300  0.91464000  0.59658200  1
  O  O32  1  0.55689200  0.66469700  0.09616600  1
  O  O33  1  0.65984300  0.80380700  0.41339900  1
  O  O34  1  0.42569200  0.91087000  0.52079100  1
  O  O35  1  0.18257900  0.65618300  0.02140900  1
  O  O36  1  0.44479700  0.96662200  0.67583200  1
  O  O37  1  0.19283300  0.71433200  0.17603600  1
  O  O38  1  0.16739100  0.77497800  0.33675500  1
  O  O39  1  0.86531100  0.76728200  0.21737700  1
  O  O40  1  0.10797900  0.86008900  0.57499200  1
  O  O41  1  0.85860300  0.60852400  0.07471600  1
  O  O42  1  0.58498600  0.83495900  0.82318600  1
  O  O43  1  0.33511500  0.58497600  0.32312300  1
  O  O44  1  0.73523000  0.82134100  0.96500300  1
  O  O45  1  0.48387500  0.57147700  0.46464000  1
  O  O46  1  0.30306400  0.69256900  0.59171100  1
  O  O47  1  0.04845500  0.43955000  0.09102800  1
  O  O48  1  0.35361100  0.84169000  0.92643700  1
  O  O49  1  0.10343600  0.59284600  0.42602400  1
  O  O50  1  0.21448600  0.73583300  0.77070600  1
  O  O51  1  0.96457500  0.48605900  0.27085100  1
  O  O52  1  0.88812000  0.73696000  0.67014100  1
  O  O53  1  0.63913900  0.48748800  0.17038600  1
  O  O54  1  0.90654800  0.79729600  0.83992500  1
  O  O55  1  0.65728400  0.54867200  0.34049600  1
  O  O56  1  0.31055800  0.42487500  0.60012300  1
  O  O57  1  0.05927900  0.17454700  0.09976600  1
  O  O58  1  0.40920900  0.55246200  0.91018400  1
  O  O59  1  0.15961200  0.30033800  0.40929100  1
  O  O60  1  0.93535000  0.40983600  0.52060100  1
  O  O61  1  0.67757500  0.16354900  0.01960100  1
  O  O62  1  0.95259100  0.47190100  0.67390800  1
  O  O63  1  0.70469900  0.22384000  0.17354600  1
  O  O64  1  0.91374500  0.52082400  0.83258400  1
  O  O65  1  0.66290000  0.27010600  0.33180700  1
  O  O66  1  0.60955700  0.51978000  0.71874300  1
  O  O67  1  0.35780400  0.27012200  0.21849700  1
  O  O68  1  0.61212300  0.36493600  0.57536100  1
  O  O69  1  0.36181500  0.11628700  0.07567300  1
  O  O70  1  0.08158300  0.33291000  0.82362100  1
  O  O71  1  0.83105500  0.08289600  0.32380500  1
  O  O72  1  0.24002000  0.32270100  0.96515500  1
  O  O73  1  0.99119000  0.07259500  0.46557400  1
  O  O74  1  0.79861200  0.19209300  0.58906100  1
  O  O75  1  0.84242500  0.33516300  0.92321200  1
  O  O76  1  0.59115600  0.08467600  0.42331700  1
  O  O77  1  0.70524600  0.23665900  0.76937500  1
  O  O78  1  0.38631800  0.23680800  0.66672900  1
  O  O79  1  0.40434900  0.29175400  0.84286300  1
  O  O80  1  0.15329900  0.04057800  0.34235000  1
  O  O81  1  0.91081900  0.05155200  0.91243400  1
  O  O82  1  0.41676000  0.02432000  0.83653100  1
  O  O83  1  0.11434000  0.01755300  0.71747800  1
