# generated using pymatgen
data_Li2VFe(P2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.24282400
_cell_length_b   7.03942400
_cell_length_c   9.75935426
_cell_angle_alpha   71.10683100
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2VFe(P2O7)2
_chemical_formula_sum   'Li4 V2 Fe2 P8 O28'
_cell_volume   535.77479648
_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  0.86362200  0.67679600  0.66227000  1
  Li  Li1  1  0.36362200  0.32320400  0.33773000  1
  Li  Li2  1  0.86304400  0.67683000  0.16195800  1
  Li  Li3  1  0.36304400  0.32317000  0.83804200  1
  V  V4  1  0.49933300  0.72847500  0.64182100  1
  V  V5  1  0.99933300  0.27152500  0.35817900  1
  Fe  Fe6  1  0.49908800  0.73176500  0.14180700  1
  Fe  Fe7  1  0.99908800  0.26823500  0.85819300  1
  P  P8  1  0.17958200  0.52177600  0.55019300  1
  P  P9  1  0.78402900  0.08569100  0.64452900  1
  P  P10  1  0.28402900  0.91430900  0.35547100  1
  P  P11  1  0.67958200  0.47822400  0.44980700  1
  P  P12  1  0.18109300  0.52138100  0.04983100  1
  P  P13  1  0.78355500  0.08505800  0.14405700  1
  P  P14  1  0.28355500  0.91494200  0.85594300  1
  P  P15  1  0.68109300  0.47861900  0.95016900  1
  O  O16  1  0.32306700  0.85229100  0.72428200  1
  O  O17  1  0.69577300  0.88454800  0.68493800  1
  O  O18  1  0.03681300  0.48258400  0.65585200  1
  O  O19  1  0.34403000  0.50548700  0.62645200  1
  O  O20  1  0.67824800  0.60560300  0.55155900  1
  O  O21  1  0.43409500  0.91765000  0.44845300  1
  O  O22  1  0.15279600  0.75364700  0.45235200  1
  O  O23  1  0.65279600  0.24635300  0.54764800  1
  O  O24  1  0.93409500  0.08235000  0.55154700  1
  O  O25  1  0.17824800  0.39439700  0.44844100  1
  O  O26  1  0.84403000  0.49451300  0.37354800  1
  O  O27  1  0.53681300  0.51741600  0.34414800  1
  O  O28  1  0.32447900  0.85284700  0.22403700  1
  O  O29  1  0.69416300  0.88351900  0.18508800  1
  O  O30  1  0.19577300  0.11545200  0.31506200  1
  O  O31  1  0.82306700  0.14770900  0.27571800  1
  O  O32  1  0.03798400  0.48233600  0.15656900  1
  O  O33  1  0.34546100  0.50716100  0.12675100  1
  O  O34  1  0.67908900  0.60552100  0.05122100  1
  O  O35  1  0.43341400  0.91760600  0.94850300  1
  O  O36  1  0.15282500  0.75378600  0.95263100  1
  O  O37  1  0.65282500  0.24621400  0.04736900  1
  O  O38  1  0.93341400  0.08239400  0.05149700  1
  O  O39  1  0.17908900  0.39447900  0.94877900  1
  O  O40  1  0.84546100  0.49283900  0.87324900  1
  O  O41  1  0.53798400  0.51766400  0.84343100  1
  O  O42  1  0.19416300  0.11648100  0.81491200  1
  O  O43  1  0.82447900  0.14715300  0.77596300  1
