# generated using pymatgen
data_Li2VFe(P2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89308000
_cell_length_b   7.04944637
_cell_length_c   24.72827721
_cell_angle_alpha   90.09529150
_cell_angle_beta   89.97039319
_cell_angle_gamma   108.83734586
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2VFe(P2O7)2
_chemical_formula_sum   'Li6 V3 Fe3 P12 O42'
_cell_volume   807.27818519
_cell_formula_units_Z   3
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  0.17604900  0.67478500  0.37905500  1
  Li  Li1  1  0.17571900  0.67591700  0.04563600  1
  Li  Li2  1  0.17620100  0.67671000  0.71242300  1
  Li  Li3  1  0.82382800  0.32466900  0.87922100  1
  Li  Li4  1  0.82465700  0.32433000  0.54535400  1
  Li  Li5  1  0.82383500  0.32458300  0.21263500  1
  V  V6  1  0.21478600  0.72823400  0.83309400  1
  V  V7  1  0.21529000  0.72821400  0.16677700  1
  V  V8  1  0.78364300  0.27139300  0.66709200  1
  Fe  Fe9  1  0.21706100  0.73270100  0.50045700  1
  Fe  Fe10  1  0.78366700  0.26834600  0.33329500  1
  Fe  Fe11  1  0.78316000  0.26767600  0.00010700  1
  P  P12  1  0.40068500  0.52186000  0.94010200  1
  P  P13  1  0.39925300  0.52195900  0.60631900  1
  P  P14  1  0.40071900  0.52192400  0.27339000  1
  P  P15  1  0.21322200  0.08626000  0.73860600  1
  P  P16  1  0.21237700  0.08536000  0.40545600  1
  P  P17  1  0.21270400  0.08632700  0.07219900  1
  P  P18  1  0.78668200  0.91457000  0.90533000  1
  P  P19  1  0.78694700  0.91316000  0.57202700  1
  P  P20  1  0.78677900  0.91451300  0.23868200  1
  P  P21  1  0.59971100  0.47782800  0.77332300  1
  P  P22  1  0.60010200  0.47825800  0.43990000  1
  P  P23  1  0.60065500  0.47821700  0.10644200  1
  O  O24  1  0.04976200  0.85278200  0.89215400  1
  O  O25  1  0.04952700  0.85262700  0.22535200  1
  O  O26  1  0.05100400  0.85306000  0.55840800  1
  O  O27  1  0.13248000  0.88594200  0.10158300  1
  O  O28  1  0.13143500  0.88596200  0.76798200  1
  O  O29  1  0.13262900  0.88417200  0.43537100  1
  O  O30  1  0.18792500  0.48251800  0.98763500  1
  O  O31  1  0.18770400  0.48236000  0.32087900  1
  O  O32  1  0.18706400  0.48248900  0.65395300  1
  O  O33  1  0.24706300  0.50680900  0.21874500  1
  O  O34  1  0.24696300  0.50650200  0.88544800  1
  O  O35  1  0.24791500  0.50741700  0.55149700  1
  O  O36  1  0.39748700  0.60521800  0.77399600  1
  O  O37  1  0.39806300  0.60539100  0.44027400  1
  O  O38  1  0.39777000  0.60476800  0.10733400  1
  O  O39  1  0.60259100  0.91773100  0.85544900  1
  O  O40  1  0.60099900  0.91582900  0.52225800  1
  O  O41  1  0.60229000  0.91761600  0.18881200  1
  O  O42  1  0.59609900  0.75365600  0.94916000  1
  O  O43  1  0.59509700  0.75277400  0.61577900  1
  O  O44  1  0.59640800  0.75355500  0.28253900  1
  O  O45  1  0.40437900  0.24752000  0.78253500  1
  O  O46  1  0.40523100  0.24742700  0.11579900  1
  O  O47  1  0.40483900  0.24632000  0.44915400  1
  O  O48  1  0.39821800  0.08289600  0.68871400  1
  O  O49  1  0.39866600  0.08315900  0.35561100  1
  O  O50  1  0.39871100  0.08383300  0.02223300  1
  O  O51  1  0.60221500  0.39419400  0.94032700  1
  O  O52  1  0.60219400  0.39532000  0.60720000  1
  O  O53  1  0.60196600  0.39405200  0.27370900  1
  O  O54  1  0.75223100  0.49417000  0.71863000  1
  O  O55  1  0.75270600  0.49164400  0.38486300  1
  O  O56  1  0.75191000  0.49285500  0.05144000  1
  O  O57  1  0.81292200  0.51779500  0.82065900  1
  O  O58  1  0.81251700  0.51755300  0.48742900  1
  O  O59  1  0.81278000  0.51756700  0.15388900  1
  O  O60  1  0.86828800  0.11622000  0.93510200  1
  O  O61  1  0.86819200  0.11612500  0.26848300  1
  O  O62  1  0.86814600  0.11413700  0.60141200  1
  O  O63  1  0.95101200  0.14829400  0.72521300  1
  O  O64  1  0.94833900  0.14542200  0.39195200  1
  O  O65  1  0.94853200  0.14652600  0.05853900  1
