# generated using pymatgen
data_LiVFe(P2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.17115800
_cell_length_b   8.09736750
_cell_length_c   13.69715359
_cell_angle_alpha   90.08922703
_cell_angle_beta   97.23918979
_cell_angle_gamma   90.06676776
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiVFe(P2O7)2
_chemical_formula_sum   'Li3 V3 Fe3 P12 O42'
_cell_volume   789.01777416
_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  0.15985100  0.13593700  0.83307900  1
  Li  Li1  1  0.17341900  0.63838600  0.50109600  1
  Li  Li2  1  0.83852400  0.63914300  0.16748800  1
  V  V3  1  0.11597800  0.50517800  0.83735200  1
  V  V4  1  0.77496500  0.49250500  0.50443300  1
  V  V5  1  0.44379200  0.49332000  0.16971100  1
  Fe  Fe6  1  0.56272600  0.99014700  0.82803500  1
  Fe  Fe7  1  0.22036400  0.00625500  0.49389300  1
  Fe  Fe8  1  0.88476100  0.00504000  0.16253200  1
  P  P9  1  0.86910800  0.22058500  0.95643800  1
  P  P10  1  0.47812900  0.32206100  0.95776800  1
  P  P11  1  0.79551700  0.71467000  0.70948800  1
  P  P12  1  0.18245000  0.81924700  0.70620100  1
  P  P13  1  0.53835100  0.21801000  0.62404500  1
  P  P14  1  0.14926000  0.31810500  0.62641000  1
  P  P15  1  0.85256100  0.82074700  0.37431900  1
  P  P16  1  0.46536100  0.71469700  0.37594500  1
  P  P17  1  0.81526700  0.31929000  0.29303000  1
  P  P18  1  0.20516400  0.21941700  0.28895900  1
  P  P19  1  0.52016900  0.82268900  0.04019100  1
  P  P20  1  0.13267500  0.71631300  0.04433100  1
  O  O21  1  0.69604600  0.35206000  0.94702300  1
  O  O22  1  0.81387500  0.06791200  0.89344200  1
  O  O23  1  0.53810900  0.82142100  0.93144900  1
  O  O24  1  0.42039900  0.15287000  0.91509600  1
  O  O25  1  0.37037700  0.46251100  0.90165000  1
  O  O26  1  0.86833400  0.56438900  0.77204500  1
  O  O27  1  0.08417900  0.66774900  0.93528000  1
  O  O28  1  0.96247000  0.85032100  0.71573900  1
  O  O29  1  0.02763600  0.31480300  0.91377300  1
  O  O30  1  0.63326900  0.80622000  0.74379900  1
  O  O31  1  0.58896700  0.17433400  0.73181100  1
  O  O32  1  0.28133600  0.95937500  0.76642900  1
  O  O33  1  0.23174000  0.64864500  0.75229800  1
  O  O34  1  0.12965900  0.32657500  0.73769500  1
  O  O35  1  0.75157600  0.66042300  0.60099400  1
  O  O36  1  0.69552200  0.31905100  0.58586700  1
  O  O37  1  0.36590300  0.35360100  0.61531300  1
  O  O38  1  0.47357000  0.06924300  0.56006600  1
  O  O39  1  0.20764300  0.81575200  0.59731800  1
  O  O40  1  0.95778300  0.95976700  0.43057900  1
  O  O41  1  0.90466200  0.65151500  0.42373200  1
  O  O42  1  0.09546500  0.14816300  0.58588600  1
  O  O43  1  0.04574200  0.45982900  0.56728000  1
  O  O44  1  0.79414500  0.33614200  0.40332000  1
  O  O45  1  0.52793900  0.56267900  0.43984100  1
  O  O46  1  0.63116300  0.84866400  0.38401900  1
  O  O47  1  0.29944700  0.79897600  0.41420400  1
  O  O48  1  0.25918000  0.17920900  0.39717400  1
  O  O49  1  0.87179800  0.81372300  0.26451500  1
  O  O50  1  0.76177000  0.14924700  0.25395700  1
  O  O51  1  0.71240400  0.46013700  0.23227100  1
  O  O52  1  0.41980100  0.66249800  0.26730000  1
  O  O53  1  0.36187900  0.32052500  0.25081700  1
  O  O54  1  0.96681400  0.79984100  0.08282900  1
  O  O55  1  0.03240800  0.35459400  0.28225800  1
  O  O56  1  0.92378500  0.18129700  0.06458800  1
  O  O57  1  0.14025000  0.06981900  0.22645500  1
  O  O58  1  0.62435400  0.95991400  0.09944600  1
  O  O59  1  0.57140300  0.65223500  0.08918500  1
  O  O60  1  0.46232400  0.33439500  0.06929800  1
  O  O61  1  0.19529100  0.56250700  0.10663500  1
  O  O62  1  0.29806500  0.84983400  0.05171600  1
