# generated using pymatgen
data_LiFePO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05822604
_cell_length_b   8.24699336
_cell_length_c   9.06029745
_cell_angle_alpha   89.96633369
_cell_angle_beta   90.01279964
_cell_angle_gamma   89.99466227
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFePO4
_chemical_formula_sum   'Li4 Fe4 P4 O16'
_cell_volume   377.95165024
_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  0.90985500  0.05754200  0.60194400  1
  Li  Li1  1  0.41023400  0.44271000  0.10230600  1
  Li  Li2  1  0.91016600  0.55713700  0.89791300  1
  Li  Li3  1  0.40988100  0.94259900  0.39812200  1
  Fe  Fe4  1  0.51345600  0.34129900  0.53063000  1
  Fe  Fe5  1  0.01348300  0.65879600  0.46932800  1
  Fe  Fe6  1  0.01311800  0.15880300  0.03051700  1
  Fe  Fe7  1  0.51324700  0.84108500  0.96932300  1
  P  P8  1  0.56597600  0.23079600  0.86255200  1
  P  P9  1  0.06636500  0.26943200  0.36224400  1
  P  P10  1  0.56650900  0.73061000  0.63772600  1
  P  P11  1  0.06614700  0.76919700  0.13742300  1
  O  O12  1  0.67148500  0.07180900  0.93970600  1
  O  O13  1  0.17249200  0.42831200  0.43917000  1
  O  O14  1  0.67257700  0.57177800  0.56072300  1
  O  O15  1  0.17143300  0.92808200  0.06012900  1
  O  O16  1  0.19564900  0.12974400  0.45304900  1
  O  O17  1  0.69552300  0.37029200  0.95338500  1
  O  O18  1  0.19554700  0.62957200  0.04678700  1
  O  O19  1  0.69571800  0.87033300  0.54704300  1
  O  O20  1  0.26342400  0.24320800  0.86640600  1
  O  O21  1  0.76375200  0.25729300  0.36631800  1
  O  O22  1  0.26384000  0.74273400  0.63364100  1
  O  O23  1  0.76342100  0.75674800  0.13358400  1
  O  O24  1  0.67108700  0.22435600  0.70113900  1
  O  O25  1  0.17115300  0.27590700  0.20074600  1
  O  O26  1  0.67133500  0.72399500  0.79924500  1
  O  O27  1  0.17112600  0.77583200  0.29889800  1
