# generated using pymatgen
data_LiFeP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.20617500
_cell_length_b   6.81021500
_cell_length_c   9.43635693
_cell_angle_alpha   72.50445173
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeP2O7
_chemical_formula_sum   'Li4 Fe4 P8 O28'
_cell_volume   502.96306765
_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  0.89235100  0.78199000  0.54657400  1
  Li  Li1  1  0.10764900  0.21801000  0.45342600  1
  Li  Li2  1  0.39235100  0.21801000  0.95342600  1
  Li  Li3  1  0.60764900  0.78199000  0.04657400  1
  Fe  Fe4  1  0.77662800  0.28126200  0.00325300  1
  Fe  Fe5  1  0.72337200  0.28126200  0.50325300  1
  Fe  Fe6  1  0.27662800  0.71873800  0.49674700  1
  Fe  Fe7  1  0.22337200  0.71873800  0.99674700  1
  P  P8  1  0.08647400  0.46186500  0.79514400  1
  P  P9  1  0.91352600  0.53813500  0.20485600  1
  P  P10  1  0.41352600  0.46186500  0.29514400  1
  P  P11  1  0.96745500  0.05447400  0.78806400  1
  P  P12  1  0.46745500  0.94552600  0.71193600  1
  P  P13  1  0.03254500  0.94552600  0.21193600  1
  P  P14  1  0.53254500  0.05447400  0.28806400  1
  P  P15  1  0.58647400  0.53813500  0.70485600  1
  O  O16  1  0.41239200  0.60590500  0.13411800  1
  O  O17  1  0.67234600  0.07136200  0.39104900  1
  O  O18  1  0.93725400  0.14532500  0.15544700  1
  O  O19  1  0.58448400  0.08923800  0.12428600  1
  O  O20  1  0.41551600  0.91076200  0.87571400  1
  O  O21  1  0.06274600  0.85467500  0.84455300  1
  O  O22  1  0.32765400  0.92863800  0.60895100  1
  O  O23  1  0.60521100  0.77024300  0.71668200  1
  O  O24  1  0.08448400  0.91076200  0.37571400  1
  O  O25  1  0.43725400  0.85467500  0.34455300  1
  O  O26  1  0.17234600  0.92863800  0.10895100  1
  O  O27  1  0.08760800  0.60590500  0.63411800  1
  O  O28  1  0.23319100  0.48449300  0.89033200  1
  O  O29  1  0.89478900  0.77024300  0.21668200  1
  O  O30  1  0.92189900  0.47290100  0.86627300  1
  O  O31  1  0.91551600  0.08923800  0.62428600  1
  O  O32  1  0.73319100  0.51550700  0.60966800  1
  O  O33  1  0.58760800  0.39409500  0.86588200  1
  O  O34  1  0.42189900  0.52709900  0.63372700  1
  O  O35  1  0.26680900  0.48449300  0.39033200  1
  O  O36  1  0.57810100  0.47290100  0.36627300  1
  O  O37  1  0.07810100  0.52709900  0.13372700  1
  O  O38  1  0.10521100  0.22975700  0.78331800  1
  O  O39  1  0.76680900  0.51550700  0.10966800  1
  O  O40  1  0.91239200  0.39409500  0.36588200  1
  O  O41  1  0.82765400  0.07136200  0.89104900  1
  O  O42  1  0.56274600  0.14532500  0.65544700  1
  O  O43  1  0.39478900  0.22975700  0.28331800  1
