# generated using pymatgen
data_Li2VFe(P2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.58671855
_cell_length_b   9.58702116
_cell_length_c   7.03812374
_cell_angle_alpha   99.47892969
_cell_angle_beta   99.46935998
_cell_angle_gamma   118.76568407
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2VFe(P2O7)2
_chemical_formula_sum   'Li4 V2 Fe2 P8 O28'
_cell_volume   536.60338925
_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  0.15662100  0.01963000  0.67618900  1
  Li  Li1  1  0.73055700  0.09354100  0.32319300  1
  Li  Li2  1  0.23012400  0.59348700  0.32380400  1
  Li  Li3  1  0.65630700  0.51963800  0.67665200  1
  V  V4  1  0.85815100  0.35755400  0.72871300  1
  V  V5  1  0.89245000  0.89173400  0.27159600  1
  Fe  Fe6  1  0.39206600  0.39141500  0.26788200  1
  Fe  Fe7  1  0.35873600  0.85798700  0.73202600  1
  P  P8  1  0.11004500  0.29043400  0.52113900  1
  P  P9  1  0.75201800  0.03599100  0.91445200  1
  P  P10  1  0.25240600  0.53572900  0.91450200  1
  P  P11  1  0.45936100  0.14053500  0.47839600  1
  P  P12  1  0.60922600  0.78981700  0.52212400  1
  P  P13  1  0.71377200  0.49791100  0.08579200  1
  P  P14  1  0.21450700  0.99778600  0.08535700  1
  P  P15  1  0.96043800  0.64025600  0.47837300  1
  O  O16  1  0.07496500  0.11269600  0.48227600  1
  O  O17  1  0.35943800  0.03834500  0.60540800  1
  O  O18  1  0.58369700  0.01723400  0.91558300  1
  O  O19  1  0.08535700  0.51863400  0.91864800  1
  O  O20  1  0.22098300  0.37380200  0.75360500  1
  O  O21  1  0.37621000  0.02913300  0.24620400  1
  O  O22  1  0.23268900  0.16548100  0.08298200  1
  O  O23  1  0.21236300  0.39045700  0.39415800  1
  O  O24  1  0.45369500  0.29914500  0.49187500  1
  O  O25  1  0.13773500  0.67472500  0.51794900  1
  O  O26  1  0.63700400  0.17548900  0.51735600  1
  O  O27  1  0.86365700  0.18713400  0.85143500  1
  O  O28  1  0.36383500  0.68794900  0.85353600  1
  O  O29  1  0.21917500  0.91291000  0.88389300  1
  O  O30  1  0.71710500  0.41319200  0.88501100  1
  O  O31  1  0.33708800  0.53080300  0.11590400  1
  O  O32  1  0.83665500  0.03289300  0.11518600  1
  O  O33  1  0.06309200  0.88588700  0.14710100  1
  O  O34  1  0.56173700  0.38678000  0.14773100  1
  O  O35  1  0.57470900  0.61259000  0.48229400  1
  O  O36  1  0.45089800  0.79632100  0.50785700  1
  O  O37  1  0.95143900  0.29524400  0.50596000  1
  O  O38  1  0.85948900  0.53769000  0.60538800  1
  O  O39  1  0.72096800  0.87412300  0.75350900  1
  O  O40  1  0.87581500  0.52893000  0.24667300  1
  O  O41  1  0.73144900  0.66552300  0.08282600  1
  O  O42  1  0.71154500  0.89051600  0.39493800  1
  O  O43  1  0.95485100  0.79851000  0.49452700  1
