# generated using pymatgen
data_LiFe4(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.03534977
_cell_length_b   9.03534977
_cell_length_c   10.34205363
_cell_angle_alpha   64.61397806
_cell_angle_beta   64.61397806
_cell_angle_gamma   59.56263870
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe4(PO4)3
_chemical_formula_sum   'Li2 Fe8 P6 O24'
_cell_volume   632.93707642
_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  0.99301900  0.49057500  0.03279300  1
  Li  Li1  1  0.49057500  0.99301900  0.53279300  1
  Fe  Fe2  1  0.96630800  0.85455400  0.99308400  1
  Fe  Fe3  1  0.35229800  0.18841300  0.99207400  1
  Fe  Fe4  1  0.84330000  0.34923000  0.45896600  1
  Fe  Fe5  1  0.46525900  0.69404900  0.49032500  1
  Fe  Fe6  1  0.69404900  0.46525900  0.99032500  1
  Fe  Fe7  1  0.85455400  0.96630800  0.49308400  1
  Fe  Fe8  1  0.18841300  0.35229800  0.49207400  1
  Fe  Fe9  1  0.34923000  0.84330000  0.95896600  1
  P  P10  1  0.35716000  0.56359600  0.86022300  1
  P  P11  1  0.85470500  0.71811600  0.36044300  1
  P  P12  1  0.21682000  0.06896100  0.35777200  1
  P  P13  1  0.71811600  0.85470500  0.86044300  1
  P  P14  1  0.06896100  0.21682000  0.85777200  1
  P  P15  1  0.56359600  0.35716000  0.36022300  1
  O  O16  1  0.81173100  0.95507600  0.86273500  1
  O  O17  1  0.45540900  0.36673000  0.86006900  1
  O  O18  1  0.93950800  0.50920100  0.44356100  1
  O  O19  1  0.87770000  0.73082500  0.20062000  1
  O  O20  1  0.15793500  0.61067600  0.94816500  1
  O  O21  1  0.87311000  0.31598300  0.85378600  1
  O  O22  1  0.65536400  0.78737700  0.44821800  1
  O  O23  1  0.37991900  0.68746700  0.70167600  1
  O  O24  1  0.31598300  0.87311000  0.35378600  1
  O  O25  1  0.44313700  0.60068200  0.94554700  1
  O  O26  1  0.00951900  0.10685000  0.44390700  1
  O  O27  1  0.95507600  0.81173100  0.36273500  1
  O  O28  1  0.78737700  0.65536400  0.94821800  1
  O  O29  1  0.73082500  0.87770000  0.70062000  1
  O  O30  1  0.22319300  0.19628400  0.20037100  1
  O  O31  1  0.28655800  0.10908800  0.44703900  1
  O  O32  1  0.10685000  0.00951900  0.94390700  1
  O  O33  1  0.50920100  0.93950800  0.94356100  1
  O  O34  1  0.61067600  0.15793500  0.44816500  1
  O  O35  1  0.19628400  0.22319300  0.70037100  1
  O  O36  1  0.68746700  0.37991900  0.20167600  1
  O  O37  1  0.36673000  0.45540900  0.36006900  1
  O  O38  1  0.10908800  0.28655800  0.94703900  1
  O  O39  1  0.60068200  0.44313700  0.44554700  1
