# generated using pymatgen
data_LiFePO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97150400
_cell_length_b   6.32700300
_cell_length_c   9.53015300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFePO4
_chemical_formula_sum   'Li4 Fe4 P4 O16'
_cell_volume   299.76830106
_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  0.00000000  0.00000000  0.00000000  1
  Li  Li1  1  0.00000000  0.50000000  0.00000000  1
  Li  Li2  1  0.50000000  0.00000000  0.50000000  1
  Li  Li3  1  0.50000000  0.50000000  0.50000000  1
  Fe  Fe4  1  0.46945100  0.75000000  0.14857800  1
  Fe  Fe5  1  0.96945100  0.25000000  0.35142200  1
  Fe  Fe6  1  0.03054900  0.75000000  0.64857800  1
  Fe  Fe7  1  0.53054900  0.25000000  0.85142200  1
  P  P8  1  0.46272500  0.25000000  0.18199700  1
  P  P9  1  0.96272500  0.75000000  0.31800300  1
  P  P10  1  0.03727500  0.25000000  0.68199700  1
  P  P11  1  0.53727500  0.75000000  0.81800300  1
  O  O12  1  0.77070700  0.25000000  0.15685900  1
  O  O13  1  0.33473200  0.05214500  0.11214900  1
  O  O14  1  0.33473200  0.44785500  0.11214900  1
  O  O15  1  0.89289400  0.75000000  0.15693400  1
  O  O16  1  0.39289400  0.25000000  0.34306600  1
  O  O17  1  0.83473200  0.94785500  0.38785100  1
  O  O18  1  0.83473200  0.55214500  0.38785100  1
  O  O19  1  0.27070700  0.75000000  0.34314100  1
  O  O20  1  0.72929300  0.25000000  0.65685900  1
  O  O21  1  0.16526800  0.05214500  0.61214900  1
  O  O22  1  0.16526800  0.44785500  0.61214900  1
  O  O23  1  0.60710600  0.75000000  0.65693400  1
  O  O24  1  0.10710600  0.25000000  0.84306600  1
  O  O25  1  0.66526800  0.55214500  0.88785100  1
  O  O26  1  0.66526800  0.94785500  0.88785100  1
  O  O27  1  0.22929300  0.75000000  0.84314100  1
