# generated using pymatgen
data_Li2VFe(P2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.04562700
_cell_length_b   8.26788187
_cell_length_c   14.09003921
_cell_angle_alpha   90.02866087
_cell_angle_beta   99.56807153
_cell_angle_gamma   90.14606906
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2VFe(P2O7)2
_chemical_formula_sum   'Li6 V3 Fe3 P12 O42'
_cell_volume   809.35777636
_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  0.38754700  0.86133700  0.05838900  1
  Li  Li1  1  0.94818800  0.36161500  0.27447200  1
  Li  Li2  1  0.71798500  0.86100500  0.39239200  1
  Li  Li3  1  0.28032500  0.36091400  0.60777100  1
  Li  Li4  1  0.05215100  0.86193500  0.72562100  1
  Li  Li5  1  0.61276900  0.36060300  0.94131100  1
  V  V6  1  0.99022800  0.00015000  0.26222700  1
  V  V7  1  0.67619300  0.50013100  0.40446700  1
  V  V8  1  0.01036700  0.49987000  0.73830100  1
  Fe  Fe9  1  0.33974300  0.49994100  0.07262300  1
  Fe  Fe10  1  0.32778200  0.00011100  0.59469000  1
  Fe  Fe11  1  0.66038800  0.99970600  0.92746300  1
  P  P12  1  0.61033500  0.18050000  0.13300500  1
  P  P13  1  0.98539700  0.78364700  0.07176700  1
  P  P14  1  0.34867500  0.28416000  0.26194500  1
  P  P15  1  0.72151200  0.68038200  0.19995100  1
  P  P16  1  0.31804400  0.78424600  0.40486800  1
  P  P17  1  0.05583500  0.68142000  0.53348600  1
  P  P18  1  0.94528400  0.18101000  0.46671200  1
  P  P19  1  0.68110800  0.28394700  0.59460700  1
  P  P20  1  0.27776300  0.17952700  0.79974900  1
  P  P21  1  0.65177300  0.78392600  0.73792300  1
  P  P22  1  0.01434600  0.28349500  0.92843200  1
  P  P23  1  0.39008700  0.67978300  0.86722000  1
  O  O24  1  0.16078000  0.32624800  0.01670100  1
  O  O25  1  0.16078600  0.69453800  0.04614000  1
  O  O26  1  0.04965300  0.93289400  0.13368000  1
  O  O27  1  0.57990400  0.03879200  0.06189000  1
  O  O28  1  0.57380200  0.34506300  0.08308300  1
  O  O29  1  0.52716100  0.67793000  0.13300100  1
  O  O30  1  0.28588400  0.43266200  0.19937900  1
  O  O31  1  0.44627400  0.15278600  0.19883400  1
  O  O32  1  0.88751500  0.65226000  0.13483700  1
  O  O33  1  0.17476000  0.19694600  0.28883400  1
  O  O34  1  0.16861600  0.82488600  0.31733400  1
  O  O35  1  0.80559500  0.17827000  0.20061900  1
  O  O36  1  0.75822400  0.84327400  0.25161300  1
  O  O37  1  0.75391500  0.53866000  0.27115900  1
  O  O38  1  0.49770300  0.32473100  0.34960600  1
  O  O39  1  0.49103600  0.69675500  0.37814400  1
  O  O40  1  0.21979200  0.65305000  0.46803300  1
  O  O41  1  0.38119400  0.93283200  0.46773600  1
  O  O42  1  0.13988800  0.17830600  0.53368100  1
  O  O43  1  0.91234800  0.03879600  0.39556500  1
  O  O44  1  0.90859200  0.34352300  0.41540600  1
  O  O45  1  0.09276200  0.84560900  0.58391300  1
  O  O46  1  0.08756000  0.53952800  0.60458900  1
  O  O47  1  0.86078500  0.67817400  0.46632500  1
  O  O48  1  0.61671900  0.43285400  0.53288100  1
  O  O49  1  0.77892500  0.15263800  0.53176900  1
  O  O50  1  0.50635500  0.19485700  0.62110500  1
  O  O51  1  0.50486200  0.82632000  0.64978600  1
  O  O52  1  0.24669500  0.03773500  0.72855500  1
  O  O53  1  0.24147200  0.34259300  0.74875500  1
  O  O54  1  0.19500300  0.67789100  0.79950000  1
  O  O55  1  0.82984000  0.32517200  0.68229200  1
  O  O56  1  0.82580300  0.69632700  0.71192200  1
  O  O57  1  0.11179500  0.15191800  0.86539200  1
  O  O58  1  0.55366200  0.65248200  0.80108100  1
  O  O59  1  0.71509900  0.93246000  0.80080200  1
  O  O60  1  0.47225100  0.17787000  0.86708000  1
  O  O61  1  0.42668400  0.84463600  0.91718700  1
  O  O62  1  0.42001100  0.53837500  0.93820900  1
  O  O63  1  0.95003500  0.43240500  0.86663400  1
  O  O64  1  0.83823700  0.19423100  0.95386700  1
  O  O65  1  0.83820200  0.82610600  0.98369000  1
