# generated using pymatgen
data_Li3VFe(P2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.00106037
_cell_length_b   10.91777809
_cell_length_c   11.00754566
_cell_angle_alpha   80.61976892
_cell_angle_beta   102.00291822
_cell_angle_gamma   77.58829018
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3VFe(P2O7)2
_chemical_formula_sum   'Li6 V2 Fe2 P8 O28'
_cell_volume   560.40469252
_cell_formula_units_Z   2
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  0.17194300  0.59547500  0.25801400  1
  Li  Li1  1  0.17844100  0.09323900  0.76056700  1
  Li  Li2  1  0.27388200  0.53244300  0.62797400  1
  Li  Li3  1  0.27883400  0.03309700  0.12767700  1
  Li  Li4  1  0.82122000  0.50621700  0.84933600  1
  Li  Li5  1  0.82386900  0.00575100  0.34836300  1
  V  V6  1  0.21208400  0.88999100  0.61439100  1
  V  V7  1  0.21304000  0.38982200  0.11502500  1
  Fe  Fe8  1  0.79725700  0.35607400  0.63131900  1
  Fe  Fe9  1  0.79811700  0.85518400  0.12973300  1
  P  P10  1  0.39106200  0.32962800  0.85410000  1
  P  P11  1  0.39193700  0.82927000  0.35267000  1
  P  P12  1  0.21638500  0.85185700  0.93306200  1
  P  P13  1  0.22112700  0.35038300  0.43345700  1
  P  P14  1  0.78959400  0.19027400  0.10266200  1
  P  P15  1  0.78785000  0.69117800  0.60194800  1
  P  P16  1  0.60054500  0.60129000  0.07945400  1
  P  P17  1  0.60549400  0.10084000  0.58076900  1
  O  O18  1  0.06898200  0.22849300  0.10249400  1
  O  O19  1  0.06950700  0.72669600  0.60269400  1
  O  O20  1  0.16197900  0.40497800  0.28988600  1
  O  O21  1  0.15548400  0.90515500  0.78957300  1
  O  O22  1  0.19589800  0.26988800  0.77073300  1
  O  O23  1  0.20039400  0.76805100  0.27004200  1
  O  O24  1  0.22872400  0.41174600  0.93028600  1
  O  O25  1  0.23140100  0.91259300  0.42798700  1
  O  O26  1  0.38300700  0.54154300  0.13125000  1
  O  O27  1  0.39001800  0.04098800  0.63332600  1
  O  O28  1  0.60113800  0.26327700  0.17262900  1
  O  O29  1  0.59998700  0.76852800  0.67017500  1
  O  O30  1  0.62169100  0.20976000  0.95488500  1
  O  O31  1  0.62141200  0.70937000  0.45511300  1
  O  O32  1  0.42583600  0.70886600  0.95241700  1
  O  O33  1  0.43361100  0.20772800  0.45290300  1
  O  O34  1  0.37835600  0.93330900  0.00671500  1
  O  O35  1  0.38501800  0.43148200  0.50803300  1
  O  O36  1  0.54944900  0.40912500  0.78084500  1
  O  O37  1  0.55517000  0.90679400  0.27959300  1
  O  O38  1  0.75513600  0.66542800  0.17440600  1
  O  O39  1  0.76235000  0.16498900  0.67473800  1
  O  O40  1  0.80401300  0.50682100  0.02895200  1
  O  O41  1  0.80987600  0.00452700  0.53092800  1
  O  O42  1  0.86285600  0.54587000  0.65706900  1
  O  O43  1  0.87146500  0.04440600  0.15565200  1
  O  O44  1  0.95559100  0.83732000  0.97688800  1
  O  O45  1  0.96054900  0.33503400  0.47583100  1
