# generated using pymatgen
data_Li2VFe(P2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.04114515
_cell_length_b   9.79332923
_cell_length_c   8.26146084
_cell_angle_alpha   90.23616643
_cell_angle_beta   89.64390654
_cell_angle_gamma   108.67199378
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2VFe(P2O7)2
_chemical_formula_sum   'Li4 V2 Fe2 P8 O28'
_cell_volume   539.68358759
_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  0.67030100  0.08878800  0.86068200  1
  Li  Li1  1  0.67028400  0.58886800  0.86068400  1
  Li  Li2  1  0.32910600  0.41050000  0.36077600  1
  Li  Li3  1  0.32917300  0.91053700  0.36060600  1
  V  V4  1  0.72919100  0.60747600  0.49923500  1
  V  V5  1  0.72952300  0.10751800  0.49920500  1
  Fe  Fe6  1  0.26738000  0.89244200  0.99954400  1
  Fe  Fe7  1  0.26739800  0.39242300  0.99971800  1
  P  P8  1  0.52220600  0.19961500  0.17983000  1
  P  P9  1  0.52211100  0.69956400  0.17983600  1
  P  P10  1  0.08588300  0.10758100  0.78509600  1
  P  P11  1  0.08583100  0.60750000  0.78512200  1
  P  P12  1  0.91424900  0.39172100  0.28275400  1
  P  P13  1  0.91417100  0.89167500  0.28282700  1
  P  P14  1  0.47712500  0.30066100  0.68126800  1
  P  P15  1  0.47702700  0.80062000  0.68119400  1
  O  O16  1  0.85350300  0.02377900  0.32364500  1
  O  O17  1  0.85370000  0.52380300  0.32372900  1
  O  O18  1  0.88520600  0.06937400  0.69759200  1
  O  O19  1  0.88514700  0.56930700  0.69766000  1
  O  O20  1  0.48213500  0.09325500  0.03774800  1
  O  O21  1  0.48208600  0.59326600  0.03770100  1
  O  O22  1  0.50849100  0.12307800  0.34346100  1
  O  O23  1  0.50846400  0.62297400  0.34341300  1
  O  O24  1  0.60575800  0.20034600  0.67804500  1
  O  O25  1  0.60569400  0.70029100  0.67800700  1
  O  O26  1  0.91779100  0.29958200  0.43162300  1
  O  O27  1  0.91753900  0.79970900  0.43190100  1
  O  O28  1  0.75424200  0.29687600  0.15202500  1
  O  O29  1  0.75420200  0.79677400  0.15211200  1
  O  O30  1  0.24749200  0.20195100  0.65325200  1
  O  O31  1  0.24737800  0.70187900  0.65324800  1
  O  O32  1  0.08681000  0.20196400  0.93392300  1
  O  O33  1  0.08680500  0.70194900  0.93392800  1
  O  O34  1  0.39518000  0.30049800  0.17879900  1
  O  O35  1  0.39516900  0.80049300  0.17876100  1
  O  O36  1  0.49036500  0.37658800  0.84564100  1
  O  O37  1  0.49020300  0.87661000  0.84553000  1
  O  O38  1  0.51725700  0.40734400  0.53982100  1
  O  O39  1  0.51711500  0.90736100  0.53985600  1
  O  O40  1  0.11636200  0.43161000  0.19386400  1
  O  O41  1  0.11630600  0.93134900  0.19401800  1
  O  O42  1  0.14427200  0.47520000  0.82676100  1
  O  O43  1  0.14436500  0.97530600  0.82672300  1
