# generated using pymatgen
data_Li2VFe(P2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.23739200
_cell_length_b   7.17516900
_cell_length_c   9.77890733
_cell_angle_alpha   68.55108438
_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   537.95064011
_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  0.36272700  0.57574000  0.75079100  1
  Li  Li1  1  0.86115000  0.92651000  0.74898100  1
  Li  Li2  1  0.36115000  0.07349000  0.25101900  1
  Li  Li3  1  0.86272700  0.42426000  0.24920900  1
  V  V4  1  0.99966500  0.52782900  0.74283200  1
  V  V5  1  0.49966500  0.47217100  0.25716800  1
  Fe  Fe6  1  0.49981200  0.97372600  0.75839100  1
  Fe  Fe7  1  0.99981200  0.02627400  0.24160900  1
  P  P8  1  0.78247400  0.14943000  0.93702400  1
  P  P9  1  0.67987200  0.53962900  0.93858300  1
  P  P10  1  0.18080100  0.96174600  0.56089100  1
  P  P11  1  0.78465800  0.65179500  0.43532900  1
  P  P12  1  0.28465800  0.34820500  0.56467100  1
  P  P13  1  0.68080100  0.03825400  0.43910900  1
  P  P14  1  0.17987200  0.46037100  0.06141700  1
  P  P15  1  0.28247400  0.85057000  0.06297600  1
  O  O16  1  0.65165700  0.32605600  0.92124700  1
  O  O17  1  0.93260500  0.23936100  0.84251900  1
  O  O18  1  0.17817800  0.49757800  0.89651300  1
  O  O19  1  0.84396800  0.62312900  0.87047600  1
  O  O20  1  0.53778200  0.66604200  0.85237400  1
  O  O21  1  0.32319300  0.95296200  0.90096300  1
  O  O22  1  0.69307500  0.00874100  0.87618600  1
  O  O23  1  0.19819500  0.49048100  0.62467700  1
  O  O24  1  0.82530400  0.55093200  0.59786300  1
  O  O25  1  0.03873600  0.83452900  0.64835600  1
  O  O26  1  0.34612800  0.87904600  0.62957500  1
  O  O27  1  0.67904700  0.00291900  0.60349900  1
  O  O28  1  0.43419200  0.25582400  0.65851000  1
  O  O29  1  0.15236100  0.17439700  0.57901700  1
  O  O30  1  0.65236100  0.82560300  0.42098300  1
  O  O31  1  0.93419200  0.74417600  0.34149000  1
  O  O32  1  0.17904700  0.99708100  0.39650100  1
  O  O33  1  0.84612800  0.12095400  0.37042500  1
  O  O34  1  0.53873600  0.16547100  0.35164400  1
  O  O35  1  0.32530400  0.44906800  0.40213700  1
  O  O36  1  0.69819500  0.50951900  0.37532300  1
  O  O37  1  0.19307500  0.99125900  0.12381400  1
  O  O38  1  0.82319300  0.04703800  0.09903700  1
  O  O39  1  0.03778200  0.33395800  0.14762600  1
  O  O40  1  0.34396800  0.37687100  0.12952400  1
  O  O41  1  0.67817800  0.50242200  0.10348700  1
  O  O42  1  0.43260500  0.76063900  0.15748100  1
  O  O43  1  0.15165700  0.67394400  0.07875300  1
