# generated using pymatgen
data_LiFePO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.06375800
_cell_length_b   6.29964022
_cell_length_c   9.98182313
_cell_angle_alpha   108.13264621
_cell_angle_beta   95.17468974
_cell_angle_gamma   99.85489762
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFePO4
_chemical_formula_sum   'Li4 Fe4 P4 O16'
_cell_volume   352.80231440
_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  0.00021500  0.49085100  0.74021100  1
  Li  Li1  1  0.82531000  0.31486200  0.01297500  1
  Li  Li2  1  0.17469000  0.68513800  0.98702500  1
  Li  Li3  1  0.99978500  0.50914900  0.25978900  1
  Fe  Fe4  1  0.62687600  0.90907000  0.32222200  1
  Fe  Fe5  1  0.50104500  0.49647500  0.74222200  1
  Fe  Fe6  1  0.49895500  0.50352500  0.25777800  1
  Fe  Fe7  1  0.37312400  0.09093000  0.67777800  1
  P  P8  1  0.19150200  0.88668600  0.43593900  1
  P  P9  1  0.30467400  0.14000800  0.04553700  1
  P  P10  1  0.69532600  0.85999200  0.95446300  1
  P  P11  1  0.80849800  0.11331400  0.56406100  1
  O  O12  1  0.55645700  0.13149700  0.11437800  1
  O  O13  1  0.35659700  0.77823900  0.40678600  1
  O  O14  1  0.94763300  0.88787200  0.37132100  1
  O  O15  1  0.75962300  0.19505900  0.87861700  1
  O  O16  1  0.14698400  0.26444500  0.06763700  1
  O  O17  1  0.21119700  0.66695800  0.60111000  1
  O  O18  1  0.29565800  0.33479600  0.88380800  1
  O  O19  1  0.74519200  0.78877300  0.63014600  1
  O  O20  1  0.25480800  0.21122700  0.36985400  1
  O  O21  1  0.70434200  0.66520400  0.11619200  1
  O  O22  1  0.78880300  0.33304200  0.39889000  1
  O  O23  1  0.85301600  0.73555500  0.93236300  1
  O  O24  1  0.24037700  0.80494100  0.12138300  1
  O  O25  1  0.05236700  0.11212800  0.62867900  1
  O  O26  1  0.64340300  0.22176100  0.59321400  1
  O  O27  1  0.44354300  0.86850300  0.88562200  1
