# generated using pymatgen
data_Li2VFe(P2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.25641000
_cell_length_b   7.15309800
_cell_length_c   9.76682966
_cell_angle_alpha   68.63121948
_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   537.16464496
_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  0.63711400  0.67633400  0.50000600  1
  Li  Li1  1  0.13711400  0.32366600  0.49999400  1
  Li  Li2  1  0.63729200  0.67506800  0.00058000  1
  Li  Li3  1  0.13729200  0.32493200  0.99942000  1
  V  V4  1  0.99969400  0.72827100  0.49392200  1
  V  V5  1  0.49969400  0.27172900  0.50607800  1
  Fe  Fe6  1  0.00093400  0.73267100  0.99204300  1
  Fe  Fe7  1  0.50093400  0.26732900  0.00795700  1
  P  P8  1  0.21649000  0.91331900  0.68682100  1
  P  P9  1  0.31949400  0.52155900  0.68957300  1
  P  P10  1  0.81949400  0.47844100  0.31042700  1
  P  P11  1  0.21606600  0.91469300  0.18641100  1
  P  P12  1  0.71649000  0.08668100  0.31317900  1
  P  P13  1  0.31988600  0.52265100  0.18860100  1
  P  P14  1  0.81988600  0.47734900  0.81139900  1
  P  P15  1  0.71606600  0.08530700  0.81358900  1
  O  O16  1  0.34738400  0.75302100  0.67055400  1
  O  O17  1  0.06687900  0.91694700  0.59275400  1
  O  O18  1  0.82190000  0.60479200  0.64628000  1
  O  O19  1  0.15637300  0.50635000  0.61985600  1
  O  O20  1  0.46154300  0.48201200  0.60231000  1
  O  O21  1  0.67667800  0.14731600  0.65132000  1
  O  O22  1  0.30395100  0.11423100  0.62621500  1
  O  O23  1  0.80395100  0.88576900  0.37378500  1
  O  O24  1  0.17667800  0.85268400  0.34868000  1
  O  O25  1  0.96154300  0.51798800  0.39769000  1
  O  O26  1  0.65637300  0.49365000  0.38014400  1
  O  O27  1  0.32190000  0.39520800  0.35372000  1
  O  O28  1  0.56687900  0.08305300  0.40724600  1
  O  O29  1  0.84738400  0.24697900  0.32944600  1
  O  O30  1  0.34632800  0.75335200  0.17159500  1
  O  O31  1  0.06683200  0.91665000  0.09218500  1
  O  O32  1  0.82166900  0.60610000  0.14598700  1
  O  O33  1  0.15483500  0.50782000  0.12045900  1
  O  O34  1  0.46227800  0.48256100  0.10245000  1
  O  O35  1  0.67474000  0.14696100  0.15111900  1
  O  O36  1  0.30606000  0.11589300  0.12666900  1
  O  O37  1  0.80606000  0.88410700  0.87333100  1
  O  O38  1  0.17474000  0.85303900  0.84888100  1
  O  O39  1  0.96227800  0.51743900  0.89755000  1
  O  O40  1  0.65483500  0.49218000  0.87954100  1
  O  O41  1  0.32166900  0.39390000  0.85401300  1
  O  O42  1  0.56683200  0.08335000  0.90781500  1
  O  O43  1  0.84632800  0.24664800  0.82840500  1
