# generated using pymatgen
data_LiVFe(P2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.76287054
_cell_length_b   16.90506560
_cell_length_c   7.17343754
_cell_angle_alpha   83.95957702
_cell_angle_beta   68.15598697
_cell_angle_gamma   73.25358788
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiVFe(P2O7)2
_chemical_formula_sum   'Li4 V4 Fe4 P16 O56'
_cell_volume   1052.30506607
_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  0.03455100  0.43234900  0.67271600  1
  Li  Li1  1  0.40848200  0.67995200  0.32676800  1
  Li  Li2  1  0.65838900  0.18051600  0.32881300  1
  Li  Li3  1  0.28494100  0.93256600  0.67254500  1
  V  V4  1  0.11963700  0.24753700  0.72199400  1
  V  V5  1  0.37014000  0.74807600  0.72772500  1
  V  V6  1  0.61753800  0.25355100  0.72724500  1
  V  V7  1  0.86679000  0.75293700  0.72130600  1
  Fe  Fe8  1  0.00659100  0.50457000  0.26578700  1
  Fe  Fe9  1  0.25633000  0.00487100  0.26463400  1
  Fe  Fe10  1  0.50767300  0.49729200  0.27540600  1
  Fe  Fe11  1  0.75770800  0.99675000  0.27648800  1
  P  P12  1  0.14334000  0.59158100  0.52335700  1
  P  P13  1  0.39528700  0.09046200  0.52375300  1
  P  P14  1  0.11974800  0.89017800  0.08682700  1
  P  P15  1  0.36889700  0.39073800  0.08542800  1
  P  P16  1  0.11037500  0.64283100  0.91534500  1
  P  P17  1  0.36458100  0.14273800  0.91367200  1
  P  P18  1  0.14211000  0.84005800  0.47909700  1
  P  P19  1  0.38958800  0.34094900  0.47698100  1
  P  P20  1  0.64708500  0.58757500  0.52072500  1
  P  P21  1  0.89516000  0.08845600  0.51985700  1
  P  P22  1  0.61970000  0.89007000  0.08640800  1
  P  P23  1  0.87068600  0.38970500  0.08783400  1
  P  P24  1  0.61618700  0.64177000  0.91069700  1
  P  P25  1  0.86232800  0.14181900  0.91179000  1
  P  P26  1  0.64027600  0.83992500  0.47828800  1
  P  P27  1  0.89337100  0.33902600  0.47990800  1
  O  O28  1  0.05814200  0.08895600  0.39302500  1
  O  O29  1  0.01326600  0.26895200  0.53095900  1
  O  O30  1  0.01374700  0.16622200  0.85103300  1
  O  O31  1  0.08676000  0.59624500  0.11021800  1
  O  O32  1  0.33594900  0.09696100  0.11019500  1
  O  O33  1  0.19629400  0.41264300  0.14273900  1
  O  O34  1  0.09004000  0.52046600  0.48476700  1
  O  O35  1  0.34001400  0.02041900  0.48478200  1
  O  O36  1  0.03146700  0.67633100  0.52143600  1
  O  O37  1  0.28347500  0.17582300  0.52074800  1
  O  O38  1  0.22502600  0.33671400  0.60791100  1
  O  O39  1  0.23280700  0.21785100  0.90397300  1
  O  O40  1  0.13905300  0.57524600  0.75263000  1
  O  O41  1  0.38929000  0.07482500  0.75287000  1
  O  O42  1  0.16860300  0.82436700  0.24884800  1
  O  O43  1  0.41557700  0.32305200  0.24913200  1
  O  O44  1  0.17728200  0.96597600  0.07852800  1
  O  O45  1  0.42756700  0.46501000  0.08649700  1
  O  O46  1  0.30647600  0.59230600  0.38985300  1
  O  O47  1  0.55722000  0.09221200  0.38964500  1
  O  O48  1  0.16673100  0.92358000  0.49480500  1
  O  O49  1  0.40726400  0.42587600  0.49077500  1
  O  O50  1  0.26814800  0.76849100  0.51900700  1
  O  O51  1  0.51432200  0.27004100  0.52076500  1
  O  O52  1  0.26084700  0.67030600  0.85150400  1
  O  O53  1  0.51358800  0.16994900  0.84908000  1
  O  O54  1  0.20656600  0.84299400  0.88488800  1
  O  O55  1  0.45152300  0.34039900  0.88962100  1
  O  O56  1  0.57575000  0.60071000  0.11550600  1
  O  O57  1  0.82551100  0.10021300  0.11574000  1
  O  O58  1  0.44668500  0.91239000  0.14230200  1
  O  O59  1  0.69878900  0.40935000  0.14063300  1
  O  O60  1  0.59012800  0.52040000  0.47534000  1
  O  O61  1  0.84055500  0.02007400  0.47455400  1
  O  O62  1  0.53025100  0.67353600  0.51929900  1
  O  O63  1  0.77870500  0.17381600  0.51850800  1
  O  O64  1  0.47359100  0.83543400  0.60797300  1
  O  O65  1  0.72928200  0.33292200  0.60709600  1
  O  O66  1  0.48290200  0.71853400  0.90853200  1
  O  O67  1  0.73050800  0.21898500  0.91150300  1
  O  O68  1  0.63595100  0.57462300  0.75386800  1
  O  O69  1  0.88501900  0.07505000  0.75337000  1
  O  O70  1  0.66402900  0.82243800  0.25160300  1
  O  O71  1  0.91748100  0.32385500  0.25100300  1
  O  O72  1  0.67747900  0.96466400  0.08755800  1
  O  O73  1  0.92688100  0.46598400  0.08041400  1
  O  O74  1  0.80876900  0.58919400  0.39274500  1
  O  O75  1  0.65483800  0.92578200  0.49094600  1
  O  O76  1  0.91505000  0.42370300  0.49439900  1
  O  O77  1  0.75923900  0.77025800  0.53210000  1
  O  O78  1  0.76620800  0.66638200  0.84942600  1
  O  O79  1  0.70317100  0.83951200  0.89127900  1
  O  O80  1  0.95815100  0.34269900  0.88639800  1
  O  O81  1  0.94841800  0.90953000  0.14041100  1
  O  O82  1  0.97983300  0.83433200  0.60764700  1
  O  O83  1  0.98058200  0.71838100  0.90791800  1
