# generated using pymatgen
data_LiFeP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.89179400
_cell_length_b   6.35321405
_cell_length_c   6.15030370
_cell_angle_alpha   108.87737390
_cell_angle_beta   103.51648037
_cell_angle_gamma   99.21696208
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeP2O7
_chemical_formula_sum   'Li2 Fe2 P4 O14'
_cell_volume   274.22203853
_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  0.00000000  0.00000000  0.00000000  1
  Li  Li1  1  0.00000000  0.50000000  0.00000000  1
  Fe  Fe2  1  0.36820000  0.22863500  0.68216500  1
  Fe  Fe3  1  0.63180000  0.77136500  0.31783500  1
  P  P4  1  0.82183300  0.20989800  0.54944800  1
  P  P5  1  0.45137200  0.31832200  0.23309000  1
  P  P6  1  0.54862800  0.68167800  0.76691000  1
  P  P7  1  0.17816700  0.79010200  0.45055200  1
  O  O8  1  0.79053200  0.03622800  0.38554200  1
  O  O9  1  0.68866100  0.18854100  0.71580800  1
  O  O10  1  0.41613700  0.20727800  0.99919000  1
  O  O11  1  0.27688800  0.20889500  0.32718500  1
  O  O12  1  0.72539800  0.34386900  0.39922600  1
  O  O13  1  0.08723300  0.31701400  0.69484500  1
  O  O14  1  0.57632500  0.49409800  0.76988100  1
  O  O15  1  0.42367500  0.50590200  0.23011900  1
  O  O16  1  0.91276700  0.68298600  0.30515500  1
  O  O17  1  0.27460200  0.65613100  0.60077400  1
  O  O18  1  0.72311200  0.79110500  0.67281500  1
  O  O19  1  0.58386300  0.79272200  0.00081000  1
  O  O20  1  0.31133900  0.81145900  0.28419200  1
  O  O21  1  0.20946800  0.96377200  0.61445800  1
