# generated using pymatgen
data_Li2VFe(P2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.58643301
_cell_length_b   9.58688154
_cell_length_c   7.15268464
_cell_angle_alpha   79.29096550
_cell_angle_beta   79.30526818
_cell_angle_gamma   118.76781889
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2VFe(P2O7)2
_chemical_formula_sum   'Li4 V2 Fe2 P8 O28'
_cell_volume   536.55565385
_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  0.06814300  0.43140000  0.32408300  1
  Li  Li1  1  0.31803400  0.18130400  0.67645300  1
  Li  Li2  1  0.56906000  0.93216300  0.32297300  1
  Li  Li3  1  0.81843800  0.68153600  0.67645800  1
  V  V4  1  0.75683800  0.75623400  0.27145000  1
  V  V5  1  0.49403200  0.99325500  0.72855500  1
  Fe  Fe6  1  0.25780200  0.25706700  0.26794500  1
  Fe  Fe7  1  0.99246700  0.49183500  0.73210900  1
  P  P8  1  0.34816600  0.52868600  0.52203700  1
  P  P9  1  0.84949000  0.02985900  0.52120000  1
  P  P10  1  0.67139800  0.45493000  0.08545900  1
  P  P11  1  0.17125400  0.95522000  0.08566900  1
  P  P12  1  0.29490200  0.57823100  0.91472700  1
  P  P13  1  0.79505900  0.07896400  0.91418300  1
  P  P14  1  0.22017600  0.90132800  0.47838200  1
  P  P15  1  0.72118000  0.40107700  0.47833000  1
  O  O16  1  0.19054700  0.12407200  0.08428700  1
  O  O17  1  0.01524800  0.19342900  0.39411600  1
  O  O18  1  0.20786100  0.05323000  0.49195900  1
  O  O19  1  0.27905800  0.47290800  0.11614000  1
  O  O20  1  0.48880700  0.31306800  0.14645900  1
  O  O21  1  0.33360900  0.37145900  0.48230100  1
  O  O22  1  0.19704000  0.54245000  0.50790600  1
  O  O23  1  0.69846300  0.04225000  0.50577800  1
  O  O24  1  0.55683100  0.23510200  0.60508800  1
  O  O25  1  0.05675100  0.73553400  0.60570300  1
  O  O26  1  0.62592400  0.05994200  0.91730600  1
  O  O27  1  0.12596900  0.55877200  0.91692600  1
  O  O28  1  0.34414200  0.49706600  0.75380600  1
  O  O29  1  0.75283800  0.40571800  0.24629400  1
  O  O30  1  0.25283300  0.90600700  0.24654400  1
  O  O31  1  0.69071700  0.62404700  0.08140000  1
  O  O32  1  0.51405500  0.69297200  0.39504000  1
  O  O33  1  0.70750200  0.55124200  0.49435000  1
  O  O34  1  0.87872900  0.41579600  0.51776400  1
  O  O35  1  0.37828400  0.91674600  0.51769900  1
  O  O36  1  0.93712100  0.26205600  0.85229300  1
  O  O37  1  0.43768800  0.76046200  0.85286500  1
  O  O38  1  0.27470600  0.97102300  0.88471200  1
  O  O39  1  0.77724400  0.47096400  0.88410100  1
  O  O40  1  0.77935400  0.97525200  0.11491400  1
  O  O41  1  0.98863800  0.81210000  0.14852400  1
  O  O42  1  0.83379500  0.87152000  0.48237700  1
  O  O43  1  0.84422900  0.99730500  0.75333500  1
