# generated using pymatgen
data_LiVFe(P2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.23860777
_cell_length_b   8.13853039
_cell_length_c   9.65965784
_cell_angle_alpha   90.37717187
_cell_angle_beta   69.13464961
_cell_angle_gamma   89.44731515
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiVFe(P2O7)2
_chemical_formula_sum   'Li2 V2 Fe2 P8 O28'
_cell_volume   531.69154056
_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  0.42110700  0.87524900  0.26288700  1
  Li  Li1  1  0.92109900  0.87524000  0.76287700  1
  V  V2  1  0.96519400  0.50190900  0.76478500  1
  V  V3  1  0.46520000  0.50193400  0.26474300  1
  Fe  Fe4  1  0.02366400  0.01335600  0.24815600  1
  Fe  Fe5  1  0.52371000  0.01335200  0.74811600  1
  P  P6  1  0.45128200  0.19066500  0.06850900  1
  P  P7  1  0.95130900  0.19067300  0.56844000  1
  P  P8  1  0.16655500  0.78165400  0.93424400  1
  P  P9  1  0.66656900  0.78165800  0.43419500  1
  P  P10  1  0.84116900  0.28676400  0.07014100  1
  P  P11  1  0.34119900  0.28674000  0.57007800  1
  P  P12  1  0.54433300  0.68726200  0.94647000  1
  P  P13  1  0.04435100  0.68725000  0.44642500  1
  O  O14  1  0.44913300  0.33773400  0.40737100  1
  O  O15  1  0.94909900  0.33775300  0.90741400  1
  O  O16  1  0.51974400  0.68637300  0.38163200  1
  O  O17  1  0.01973100  0.68636400  0.88164500  1
  O  O18  1  0.32710700  0.06046200  0.17366400  1
  O  O19  1  0.82712200  0.06047100  0.67362900  1
  O  O20  1  0.39003600  0.36563200  0.13277400  1
  O  O21  1  0.89006700  0.36562700  0.63276100  1
  O  O22  1  0.49605800  0.68560100  0.11626000  1
  O  O23  1  0.99605000  0.68558500  0.61623100  1
  O  O24  1  0.74177000  0.43874600  0.16402600  1
  O  O25  1  0.24178200  0.43870900  0.66398200  1
  O  O26  1  0.67249600  0.15852400  0.07058100  1
  O  O27  1  0.17251700  0.15850900  0.57052100  1
  O  O28  1  0.34326200  0.65028100  0.91796700  1
  O  O29  1  0.84328000  0.65028800  0.41791000  1
  O  O30  1  0.24774000  0.92444000  0.82828900  1
  O  O31  1  0.74771800  0.92445800  0.32827200  1
  O  O32  1  0.46026500  0.17950500  0.91052800  1
  O  O33  1  0.96025300  0.17953900  0.41050200  1
  O  O34  1  0.61889700  0.85561000  0.88211600  1
  O  O35  1  0.11890500  0.85560200  0.38210300  1
  O  O36  1  0.68427700  0.54727500  0.86686100  1
  O  O37  1  0.18426900  0.54726800  0.36682700  1
  O  O38  1  0.48044800  0.18993300  0.62327700  1
  O  O39  1  0.98043500  0.18997300  0.12331500  1
  O  O40  1  0.57666300  0.83292600  0.59537100  1
  O  O41  1  0.07663100  0.83291100  0.09539000  1
