# generated using pymatgen
data_LiFeP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.31850212
_cell_length_b   6.31850212
_cell_length_c   13.41586990
_cell_angle_alpha   74.11222264
_cell_angle_beta   74.11222264
_cell_angle_gamma   80.48750806
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeP2O7
_chemical_formula_sum   'Li4 Fe4 P8 O28'
_cell_volume   493.10153584
_cell_formula_units_Z   4
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  0.76537400  0.01128400  0.88122800  1
  Li  Li1  1  0.02138700  0.76900000  0.37840000  1
  Li  Li2  1  0.23100000  0.97861300  0.62160000  1
  Li  Li3  1  0.98871600  0.23462600  0.11877200  1
  Fe  Fe4  1  0.59971900  0.12505300  0.39187100  1
  Fe  Fe5  1  0.87494700  0.40028100  0.60812900  1
  Fe  Fe6  1  0.40328300  0.87552200  0.10664300  1
  Fe  Fe7  1  0.12447800  0.59671700  0.89335700  1
  P  P8  1  0.24701500  0.09508000  0.88451600  1
  P  P9  1  0.33373800  0.42085400  0.67512600  1
  P  P10  1  0.57914600  0.66626200  0.32487400  1
  P  P11  1  0.09725800  0.24785800  0.38594800  1
  P  P12  1  0.66880900  0.58123800  0.82257200  1
  P  P13  1  0.90492000  0.75298500  0.11548400  1
  P  P14  1  0.75214200  0.90274200  0.61405200  1
  P  P15  1  0.41876200  0.33119100  0.17742800  1
  O  O16  1  0.53372500  0.43981800  0.39458500  1
  O  O17  1  0.98740200  0.42855000  0.44510800  1
  O  O18  1  0.18929200  0.33281100  0.62359700  1
  O  O19  1  0.61205300  0.78889100  0.72806600  1
  O  O20  1  0.21961500  0.61429300  0.72558500  1
  O  O21  1  0.61637000  0.21570800  0.22615900  1
  O  O22  1  0.72999800  0.91187600  0.06236400  1
  O  O23  1  0.38570700  0.78038500  0.27441500  1
  O  O24  1  0.46939100  0.56080200  0.10424000  1
  O  O25  1  0.01694500  0.57299400  0.05359700  1
  O  O26  1  0.11417700  0.93183700  0.86581900  1
  O  O27  1  0.66718900  0.81070800  0.37640300  1
  O  O28  1  0.21110900  0.38794700  0.27193400  1
  O  O29  1  0.33420900  0.18915100  0.12407400  1
  O  O30  1  0.56018200  0.46627500  0.60541500  1
  O  O31  1  0.38894400  0.21250600  0.76993100  1
  O  O32  1  0.78749400  0.61105600  0.23006900  1
  O  O33  1  0.43919800  0.53060900  0.89576100  1
  O  O34  1  0.57145000  0.01259800  0.55489200  1
  O  O35  1  0.93478600  0.11345800  0.36725200  1
  O  O36  1  0.81084900  0.66579100  0.87592600  1
  O  O37  1  0.27306300  0.08854000  0.43545100  1
  O  O38  1  0.88654200  0.06521400  0.63274800  1
  O  O39  1  0.42700600  0.98305500  0.94640300  1
  O  O40  1  0.06816300  0.88582300  0.13418100  1
  O  O41  1  0.78429200  0.38363000  0.77384100  1
  O  O42  1  0.91146000  0.72693700  0.56454900  1
  O  O43  1  0.08812400  0.27000200  0.93763600  1
