# generated using pymatgen
data_Li2VFe(P2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.04117800
_cell_length_b   8.25282112
_cell_length_c   14.05141360
_cell_angle_alpha   89.98303987
_cell_angle_beta   99.42051041
_cell_angle_gamma   90.13563015
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2VFe(P2O7)2
_chemical_formula_sum   'Li6 V3 Fe3 P12 O42'
_cell_volume   805.50760437
_cell_formula_units_Z   3
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  0.38230700  0.86337900  0.05865900  1
  Li  Li1  1  0.95101600  0.36337500  0.27467800  1
  Li  Li2  1  0.71618700  0.86272500  0.39200700  1
  Li  Li3  1  0.28380200  0.36271200  0.60799500  1
  Li  Li4  1  0.04906400  0.86345400  0.72527600  1
  Li  Li5  1  0.61722400  0.36265400  0.94128100  1
  V  V6  1  0.34364000  0.49935500  0.07229200  1
  V  V7  1  0.98973300  0.99940900  0.26110600  1
  V  V8  1  0.01015100  0.49918600  0.73872600  1
  Fe  Fe9  1  0.67326800  0.49898800  0.40541300  1
  Fe  Fe10  1  0.32672500  0.99901100  0.59463300  1
  Fe  Fe11  1  0.66000800  0.99929400  0.92770500  1
  P  P12  1  0.61121400  0.17950200  0.13314300  1
  P  P13  1  0.98455400  0.78411500  0.07036800  1
  P  P14  1  0.34879600  0.28406400  0.26277800  1
  P  P15  1  0.72212900  0.67944200  0.20010900  1
  P  P16  1  0.31896200  0.78320000  0.40415700  1
  P  P17  1  0.05497300  0.68111500  0.53307000  1
  P  P18  1  0.94503800  0.18117300  0.46685100  1
  P  P19  1  0.68102200  0.28312900  0.59566200  1
  P  P20  1  0.27885600  0.17951300  0.80014500  1
  P  P21  1  0.65139200  0.78439400  0.73725500  1
  P  P22  1  0.01461200  0.28285300  0.92923800  1
  P  P23  1  0.38920700  0.68109400  0.86672800  1
  O  O24  1  0.16409600  0.32281300  0.01715500  1
  O  O25  1  0.15844700  0.69645900  0.04322100  1
  O  O26  1  0.04958700  0.93426800  0.13220200  1
  O  O27  1  0.58015100  0.03673400  0.06269000  1
  O  O28  1  0.57699100  0.34356000  0.08218200  1
  O  O29  1  0.52699400  0.67843500  0.13239100  1
  O  O30  1  0.28394500  0.43419700  0.20120800  1
  O  O31  1  0.44509000  0.15321100  0.19859500  1
  O  O32  1  0.88806400  0.65310100  0.13479300  1
  O  O33  1  0.17473300  0.19638200  0.29015000  1
  O  O34  1  0.16939400  0.82282100  0.31630100  1
  O  O35  1  0.80639000  0.17851100  0.20094400  1
  O  O36  1  0.75641200  0.84348300  0.25119300  1
  O  O37  1  0.75301100  0.53676800  0.27072100  1
  O  O38  1  0.49809400  0.32520500  0.35069100  1
  O  O39  1  0.49379200  0.69409800  0.37742100  1
  O  O40  1  0.22213700  0.65288300  0.46846700  1
  O  O41  1  0.38287400  0.93284300  0.46622300  1
  O  O42  1  0.13966700  0.17906500  0.53401300  1
  O  O43  1  0.91317500  0.03839100  0.39584900  1
  O  O44  1  0.90766700  0.34548000  0.41576400  1
  O  O45  1  0.09244000  0.84542500  0.58427100  1
  O  O46  1  0.08665300  0.53840900  0.60422000  1
  O  O47  1  0.86035300  0.67895800  0.46598300  1
  O  O48  1  0.61733500  0.43277800  0.53384800  1
  O  O49  1  0.77769000  0.15299100  0.53159600  1
  O  O50  1  0.50602000  0.19398500  0.62258500  1
  O  O51  1  0.50204700  0.82517300  0.64942200  1
  O  O52  1  0.24669900  0.03691900  0.72936200  1
  O  O53  1  0.24331900  0.34361300  0.74889400  1
  O  O54  1  0.19386400  0.67898000  0.79925900  1
  O  O55  1  0.83056700  0.32280800  0.68371100  1
  O  O56  1  0.82515600  0.69663000  0.70998800  1
  O  O57  1  0.11100800  0.15289900  0.86496300  1
  O  O58  1  0.55468500  0.65318700  0.80148300  1
  O  O59  1  0.71503900  0.93362000  0.79964300  1
  O  O60  1  0.47329000  0.17845300  0.86754000  1
  O  O61  1  0.42539300  0.84538800  0.91762200  1
  O  O62  1  0.41985600  0.53824200  0.93754900  1
  O  O63  1  0.94946200  0.43334400  0.86796200  1
  O  O64  1  0.83931700  0.19389200  0.95600900  1
  O  O65  1  0.83520900  0.82520600  0.98264000  1
