# generated using pymatgen
data_LiFeP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.92938852
_cell_length_b   7.92938852
_cell_length_c   10.52863518
_cell_angle_alpha   88.31193340
_cell_angle_beta   88.31193340
_cell_angle_gamma   115.32738082
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeP2O7
_chemical_formula_sum   'Li4 Fe4 P8 O28'
_cell_volume   597.45028175
_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  0.72070500  0.27986900  0.99876400  1
  Li  Li1  1  0.72013100  0.27929500  0.50123600  1
  Li  Li2  1  0.27929500  0.72013100  0.00123600  1
  Li  Li3  1  0.27986900  0.72070500  0.49876400  1
  Fe  Fe4  1  0.67820900  0.67777700  0.89851400  1
  Fe  Fe5  1  0.32179100  0.32222300  0.10148600  1
  Fe  Fe6  1  0.67777700  0.67820900  0.39851400  1
  Fe  Fe7  1  0.32222300  0.32179100  0.60148600  1
  P  P8  1  0.31496000  0.10329400  0.86275500  1
  P  P9  1  0.10744700  0.32544700  0.86176900  1
  P  P10  1  0.89670600  0.68504000  0.63724500  1
  P  P11  1  0.68504000  0.89670600  0.13724500  1
  P  P12  1  0.67455300  0.89255300  0.63823100  1
  P  P13  1  0.89255300  0.67455300  0.13823100  1
  P  P14  1  0.32544700  0.10744700  0.36176900  1
  P  P15  1  0.10329400  0.31496000  0.36275500  1
  O  O16  1  0.11680300  0.12254400  0.88251500  1
  O  O17  1  0.08878400  0.70307400  0.12113500  1
  O  O18  1  0.91121600  0.29692600  0.87886500  1
  O  O19  1  0.70307400  0.08878400  0.62113500  1
  O  O20  1  0.12254400  0.11680300  0.38251500  1
  O  O21  1  0.19913100  0.40182800  0.72743400  1
  O  O22  1  0.81023700  0.60800100  0.77259400  1
  O  O23  1  0.40182800  0.19913100  0.22743400  1
  O  O24  1  0.88319700  0.87745600  0.11748500  1
  O  O25  1  0.55320000  0.75840500  0.53552200  1
  O  O26  1  0.39199900  0.18976300  0.72740600  1
  O  O27  1  0.80086900  0.59817200  0.27256600  1
  O  O28  1  0.44068300  0.23660000  0.96411000  1
  O  O29  1  0.59817200  0.80086900  0.77256600  1
  O  O30  1  0.60800100  0.81023700  0.27259400  1
  O  O31  1  0.23660000  0.44068300  0.46411000  1
  O  O32  1  0.76340000  0.55931700  0.53589000  1
  O  O33  1  0.75840500  0.55320000  0.03552200  1
  O  O34  1  0.44680000  0.24159500  0.46447800  1
  O  O35  1  0.55931700  0.76340000  0.03589000  1
  O  O36  1  0.27843200  0.90511200  0.88316000  1
  O  O37  1  0.09488800  0.72156800  0.61684000  1
  O  O38  1  0.29692600  0.91121600  0.37886500  1
  O  O39  1  0.18976300  0.39199900  0.22740600  1
  O  O40  1  0.24159500  0.44680000  0.96447800  1
  O  O41  1  0.90511200  0.27843200  0.38316000  1
  O  O42  1  0.87745600  0.88319700  0.61748500  1
  O  O43  1  0.72156800  0.09488800  0.11684000  1
