# generated using pymatgen
data_Li2VFe(P2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.24585200
_cell_length_b   7.03946300
_cell_length_c   9.76219622
_cell_angle_alpha   71.07763694
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2VFe(P2O7)2
_chemical_formula_sum   'Li4 V2 Fe2 P8 O28'
_cell_volume   536.03709860
_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  0.86364100  0.67706100  0.91215800  1
  Li  Li1  1  0.36345800  0.32247700  0.58770100  1
  Li  Li2  1  0.86345800  0.67752300  0.41229900  1
  Li  Li3  1  0.36364100  0.32293900  0.08784200  1
  V  V4  1  0.99917700  0.27149000  0.60778200  1
  V  V5  1  0.49917700  0.72851000  0.39221800  1
  Fe  Fe6  1  0.49910800  0.73149700  0.89149800  1
  Fe  Fe7  1  0.99910800  0.26850300  0.10850200  1
  P  P8  1  0.18026700  0.52224300  0.80017800  1
  P  P9  1  0.78341400  0.08554200  0.89431800  1
  P  P10  1  0.28386300  0.91473300  0.60576700  1
  P  P11  1  0.68031200  0.47858900  0.70042200  1
  P  P12  1  0.18031200  0.52141100  0.29957800  1
  P  P13  1  0.78386300  0.08526700  0.39423300  1
  P  P14  1  0.28341400  0.91445800  0.10568200  1
  P  P15  1  0.68026700  0.47775700  0.19982200  1
  O  O16  1  0.32391900  0.85290800  0.97388900  1
  O  O17  1  0.69405500  0.88344300  0.93495400  1
  O  O18  1  0.03737200  0.48245300  0.90610000  1
  O  O19  1  0.34532000  0.50695600  0.87656500  1
  O  O20  1  0.67848000  0.60579900  0.80151800  1
  O  O21  1  0.43382200  0.91673100  0.69900700  1
  O  O22  1  0.15328800  0.75364100  0.70253200  1
  O  O23  1  0.65296100  0.24612200  0.79732000  1
  O  O24  1  0.93363500  0.08110400  0.80236300  1
  O  O25  1  0.17911400  0.39470500  0.69882600  1
  O  O26  1  0.84396400  0.49466300  0.62327500  1
  O  O27  1  0.53737000  0.51742100  0.59396700  1
  O  O28  1  0.32306300  0.85179500  0.47414100  1
  O  O29  1  0.69597700  0.88432200  0.43559900  1
  O  O30  1  0.19597700  0.11567800  0.56440100  1
  O  O31  1  0.82306300  0.14820500  0.52585900  1
  O  O32  1  0.03737000  0.48257900  0.40603300  1
  O  O33  1  0.34396400  0.50533700  0.37672500  1
  O  O34  1  0.67911400  0.60529500  0.30117400  1
  O  O35  1  0.43363500  0.91889600  0.19763700  1
  O  O36  1  0.15296100  0.75387800  0.20268000  1
  O  O37  1  0.65328800  0.24635900  0.29746800  1
  O  O38  1  0.93382200  0.08326900  0.30099300  1
  O  O39  1  0.17848000  0.39420100  0.19848200  1
  O  O40  1  0.84532000  0.49304400  0.12343500  1
  O  O41  1  0.53737200  0.51754700  0.09390000  1
  O  O42  1  0.19405500  0.11655700  0.06504600  1
  O  O43  1  0.82391900  0.14709200  0.02611100  1
