# generated using pymatgen
data_LiFeP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.10708300
_cell_length_b   8.60841500
_cell_length_c   12.58053951
_cell_angle_alpha   78.15030836
_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   541.30293246
_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  0.51244700  0.37429600  0.68496000  1
  Li  Li1  1  0.02425700  0.41190700  0.08550400  1
  Li  Li2  1  0.48755300  0.87429600  0.18496000  1
  Li  Li3  1  0.97574300  0.91190700  0.58550400  1
  Fe  Fe4  1  0.98826100  0.75073100  0.01929100  1
  Fe  Fe5  1  0.01173900  0.25073100  0.51929100  1
  Fe  Fe6  1  0.49328800  0.76437800  0.46757700  1
  Fe  Fe7  1  0.50671200  0.26437800  0.96757700  1
  P  P8  1  0.49122300  0.03110100  0.63932400  1
  P  P9  1  0.00214900  0.97019000  0.35587200  1
  P  P10  1  0.51441300  0.42714800  0.38284800  1
  P  P11  1  0.50877700  0.53110100  0.13932400  1
  P  P12  1  0.48558700  0.92714800  0.88284800  1
  P  P13  1  0.99785100  0.47019000  0.85587200  1
  P  P14  1  0.00072500  0.07326500  0.11814500  1
  P  P15  1  0.99927500  0.57326500  0.61814500  1
  O  O16  1  0.79273300  0.83942100  0.36822000  1
  O  O17  1  0.41933300  0.41757200  0.06652000  1
  O  O18  1  0.29518300  0.08069700  0.09491000  1
  O  O19  1  0.85337600  0.21966400  0.05589200  1
  O  O20  1  0.66129500  0.79498900  0.94221000  1
  O  O21  1  0.19724300  0.89305900  0.91233900  1
  O  O22  1  0.02960200  0.56626700  0.94381500  1
  O  O23  1  0.20726700  0.33942100  0.86822000  1
  O  O24  1  0.71888600  0.40659500  0.84737200  1
  O  O25  1  0.56925300  0.09336300  0.89335000  1
  O  O26  1  0.52970600  0.91836100  0.75785000  1
  O  O27  1  0.04843000  0.59357000  0.74272200  1
  O  O28  1  0.58066700  0.91757200  0.56652000  1
  O  O29  1  0.70481700  0.58069700  0.59491000  1
  O  O30  1  0.12407400  0.41256300  0.61213900  1
  O  O31  1  0.33001000  0.67722700  0.12784400  1
  O  O32  1  0.66999000  0.17722700  0.62784400  1
  O  O33  1  0.19854300  0.07188900  0.63217000  1
  O  O34  1  0.14662400  0.71966400  0.55589200  1
  O  O35  1  0.28111400  0.90659500  0.34737200  1
  O  O36  1  0.33870500  0.29498900  0.44221000  1
  O  O37  1  0.43074700  0.59336300  0.39335000  1
  O  O38  1  0.80275700  0.39305900  0.41233900  1
  O  O39  1  0.97039800  0.06626700  0.44381500  1
  O  O40  1  0.47029400  0.41836100  0.25785000  1
  O  O41  1  0.95157000  0.09357000  0.24272200  1
  O  O42  1  0.87592600  0.91256300  0.11213900  1
  O  O43  1  0.80145700  0.57188900  0.13217000  1
