# generated using pymatgen
data_LiVFe(P2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.17343700
_cell_length_b   9.72911589
_cell_length_c   16.90506547
_cell_angle_alpha   102.21309404
_cell_angle_beta   96.04042468
_cell_angle_gamma   111.34264481
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiVFe(P2O7)2
_chemical_formula_sum   'Li4 V4 Fe4 P16 O56'
_cell_volume   1052.30493336
_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  0.42803400  0.10075000  0.43234900  1
  Li  Li1  1  0.90484600  0.23161400  0.67995200  1
  Li  Li2  1  0.65176600  0.98057900  0.18051600  1
  Li  Li3  1  0.17738200  0.84992700  0.93256600  1
  V  V4  1  0.66329500  0.38528900  0.24753700  1
  V  V5  1  0.40598500  0.13370900  0.74807600  1
  V  V6  1  0.14811500  0.87536100  0.25355100  1
  V  V7  1  0.90603000  0.62733600  0.75293700  1
  Fe  Fe8  1  0.71848100  0.98426800  0.50457000  1
  Fe  Fe9  1  0.46929400  0.73392800  0.00487100  1
  Fe  Fe10  1  0.22233600  0.49774200  0.49729200  1
  Fe  Fe11  1  0.97230400  0.24879200  0.99675000  1
  P  P12  1  0.15014100  0.67349800  0.59158100  1
  P  P13  1  0.90003600  0.42378900  0.09046200  1
  P  P14  1  0.01306900  0.09989500  0.89017800  1
  P  P15  1  0.76419900  0.84962700  0.39073800  1
  P  P16  1  0.68861800  0.60396300  0.64283100  1
  P  P17  1  0.43627200  0.34994400  0.14273800  1
  P  P18  1  0.69867700  0.17777400  0.84005800  1
  P  P19  1  0.45153300  0.92851400  0.34094900  1
  P  P20  1  0.65703900  0.17776400  0.58757500  1
  P  P21  1  0.40807000  0.92792700  0.08845600  1
  P  P22  1  0.51375100  0.60015900  0.89007000  1
  P  P23  1  0.26207100  0.34990400  0.38970500  1
  P  P24  1  0.18957600  0.10027300  0.64177000  1
  P  P25  1  0.94224400  0.85403400  0.14181900  1
  P  P26  1  0.20158600  0.67987400  0.83992500  1
  P  P27  1  0.94866900  0.42857700  0.33902600  1
  O  O28  1  0.37092000  0.76394500  0.08895600  1
  O  O29  1  0.91787200  0.44883100  0.26895200  1
  O  O30  1  0.80277600  0.65381000  0.16622200  1
  O  O31  1  0.61053100  0.72074900  0.59624500  1
  O  O32  1  0.35993500  0.47013000  0.09696100  1
  O  O33  1  0.83567900  0.97841900  0.41264300  1
  O  O34  1  0.38426100  0.86902800  0.52046600  1
  O  O35  1  0.13436700  0.61914800  0.02041900  1
  O  O36  1  0.09443500  0.61587000  0.67633100  1
  O  O37  1  0.84413000  0.36487800  0.17582300  1
  O  O38  1  0.49363600  0.10154700  0.33671400  1
  O  O39  1  0.42751800  0.33149100  0.21785100  1
  O  O40  1  0.95782400  0.71045400  0.57524600  1
  O  O41  1  0.70819000  0.46106000  0.07482500  1
  O  O42  1  0.93381600  0.18266400  0.82436700  1
  O  O43  1  0.68918600  0.93831800  0.32305200  1
  O  O44  1  0.81223700  0.89076500  0.96597600  1
  O  O45  1  0.55591600  0.64241300  0.46501000  1
  O  O46  1  0.11905900  0.50891200  0.59230600  1
  O  O47  1  0.86871200  0.25835700  0.09221200  1
  O  O48  1  0.49130400  0.98610900  0.92358000  1
  O  O49  1  0.25020900  0.74098400  0.42587600  1
  O  O50  1  0.67586300  0.19487000  0.76849100  1
  O  O51  1  0.42483200  0.94559600  0.27004100  1
  O  O52  1  0.54703800  0.39854200  0.67030600  1
  O  O53  1  0.29743400  0.14651400  0.16994900  1
  O  O54  1  0.22255700  0.10744500  0.84299400  1
  O  O55  1  0.97805700  0.86767900  0.34039900  1
  O  O56  1  0.10732400  0.22283000  0.60071000  1
  O  O57  1  0.85832300  0.97406400  0.10021300  1
  O  O58  1  0.58623400  0.72853600  0.91239000  1
  O  O59  1  0.34187800  0.48251100  0.40935000  1
  O  O60  1  0.89373200  0.36907200  0.52040000  1
  O  O61  1  0.64474400  0.11929800  0.02007400  1
  O  O62  1  0.60337800  0.12267700  0.67353600  1
  O  O63  1  0.35515500  0.87366200  0.17381600  1
  O  O64  1  0.24756700  0.85554100  0.83543400  1
  O  O65  1  0.99777800  0.60487400  0.33292200  1
  O  O66  1  0.17149800  0.08003100  0.71853400  1
  O  O67  1  0.92001800  0.83152200  0.21898500  1
  O  O68  1  0.46093500  0.21480300  0.57462300  1
  O  O69  1  0.21151100  0.96488200  0.07505000  1
  O  O70  1  0.43949300  0.69109600  0.82243800  1
  O  O71  1  0.18380700  0.43481000  0.32385500  1
  O  O72  1  0.30563400  0.39319300  0.96466400  1
  O  O73  1  0.06073600  0.14115000  0.46598400  1
  O  O74  1  0.62009900  0.01284400  0.58919400  1
  O  O75  1  0.00265200  0.49359800  0.92578200  1
  O  O76  1  0.74314400  0.23754300  0.42370300  1
  O  O77  1  0.16814500  0.70024500  0.77025800  1
  O  O78  1  0.05160100  0.90102700  0.66638200  1
  O  O79  1  0.72652600  0.61780500  0.83951200  1
  O  O80  1  0.47005400  0.35645200  0.34269900  1
  O  O81  1  0.09211000  0.23252100  0.90953000  1
  O  O82  1  0.74385600  0.35150300  0.83433200  1
  O  O83  1  0.67473900  0.58265600  0.71838100  1
