# generated using pymatgen
data_LiVFe(P2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.26926336
_cell_length_b   8.17001376
_cell_length_c   9.62628671
_cell_angle_alpha   89.70009740
_cell_angle_beta   69.17721196
_cell_angle_gamma   90.69047721
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiVFe(P2O7)2
_chemical_formula_sum   'Li2 V2 Fe2 P8 O28'
_cell_volume   534.29720665
_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  0.58365400  0.37217500  0.73903100  1
  Li  Li1  1  0.08365400  0.37217500  0.23903100  1
  V  V2  1  0.97308400  0.51262300  0.75071900  1
  V  V3  1  0.47308400  0.51262300  0.25071900  1
  Fe  Fe4  1  0.03266000  0.00274600  0.23468300  1
  Fe  Fe5  1  0.53266000  0.00274600  0.73468300  1
  P  P6  1  0.45607300  0.18751200  0.05432500  1
  P  P7  1  0.95607300  0.18751200  0.55432500  1
  P  P8  1  0.16078300  0.78202900  0.92870300  1
  P  P9  1  0.66078300  0.78202900  0.42870300  1
  P  P10  1  0.83297900  0.28728200  0.06585900  1
  P  P11  1  0.33297900  0.28728200  0.56585900  1
  P  P12  1  0.54723600  0.69136100  0.93006900  1
  P  P13  1  0.04723600  0.69136100  0.43006900  1
  O  O14  1  0.42096100  0.34659100  0.40318400  1
  O  O15  1  0.92096100  0.34659100  0.90318400  1
  O  O16  1  0.52315300  0.67925000  0.37299500  1
  O  O17  1  0.02315300  0.67925000  0.87299500  1
  O  O18  1  0.31941700  0.05169000  0.13805600  1
  O  O19  1  0.81941700  0.05169000  0.63805600  1
  O  O20  1  0.38475800  0.35667200  0.12579000  1
  O  O21  1  0.88475800  0.35667200  0.62579000  1
  O  O22  1  0.52693900  0.66673600  0.09434700  1
  O  O23  1  0.02693900  0.66673600  0.59434700  1
  O  O24  1  0.74397600  0.43230800  0.16959000  1
  O  O25  1  0.24397600  0.43230800  0.66959000  1
  O  O26  1  0.66351600  0.15549200  0.07777300  1
  O  O27  1  0.16351600  0.15549200  0.57777300  1
  O  O28  1  0.33411500  0.65077300  0.92189500  1
  O  O29  1  0.83411500  0.65077300  0.42189500  1
  O  O30  1  0.25412400  0.92872100  0.82993700  1
  O  O31  1  0.75412400  0.92872100  0.32993700  1
  O  O32  1  0.49807900  0.19525100  0.88715600  1
  O  O33  1  0.99807900  0.19525100  0.38715600  1
  O  O34  1  0.60819500  0.86470200  0.87864200  1
  O  O35  1  0.10819500  0.86470200  0.37864200  1
  O  O36  1  0.67933100  0.55953500  0.83027000  1
  O  O37  1  0.17933100  0.55953500  0.33027000  1
  O  O38  1  0.48449500  0.20228400  0.61498900  1
  O  O39  1  0.98449500  0.20228400  0.11498900  1
  O  O40  1  0.55575700  0.82417000  0.59077800  1
  O  O41  1  0.05575700  0.82417000  0.09077800  1
