# generated using pymatgen
data_LiFePO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79931505
_cell_length_b   10.41440300
_cell_length_c   6.24350106
_cell_angle_alpha   90.00005873
_cell_angle_beta   89.98375489
_cell_angle_gamma   90.00028080
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFePO4
_chemical_formula_sum   'Li4 Fe4 P4 O16'
_cell_volume   312.06266404
_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  0.49499900  0.21285700  0.75000100  1
  Li  Li1  1  0.99499400  0.28714200  0.25000300  1
  Li  Li2  1  0.00500600  0.71285700  0.74999700  1
  Li  Li3  1  0.50500100  0.78714200  0.25000000  1
  Fe  Fe4  1  0.99999900  0.99999900  0.49999400  1
  Fe  Fe5  1  0.49999400  0.50000000  0.00000800  1
  Fe  Fe6  1  0.00000300  0.00000200  0.99999900  1
  Fe  Fe7  1  0.50000800  0.50000500  0.49999900  1
  P  P8  1  0.42043900  0.09598800  0.24997400  1
  P  P9  1  0.92044800  0.40400900  0.74997400  1
  P  P10  1  0.07955200  0.59599000  0.25002600  1
  P  P11  1  0.57956000  0.90401100  0.75002600  1
  O  O12  1  0.71201700  0.04474200  0.74997200  1
  O  O13  1  0.21202000  0.45526300  0.24997600  1
  O  O14  1  0.78797800  0.54473700  0.75002400  1
  O  O15  1  0.28798300  0.95525800  0.25002700  1
  O  O16  1  0.74594800  0.08770500  0.24995700  1
  O  O17  1  0.24596200  0.41228700  0.74996200  1
  O  O18  1  0.75403800  0.58771300  0.25003700  1
  O  O19  1  0.25405100  0.91229500  0.75004100  1
  O  O20  1  0.30207700  0.16010900  0.04577200  1
  O  O21  1  0.30220000  0.16009100  0.45431900  1
  O  O22  1  0.80218700  0.33990400  0.95431600  1
  O  O23  1  0.80208400  0.33989500  0.54577100  1
  O  O24  1  0.19781000  0.66009600  0.04568700  1
  O  O25  1  0.19791700  0.66010400  0.45422800  1
  O  O26  1  0.69780200  0.83990800  0.54568100  1
  O  O27  1  0.69792200  0.83989100  0.95422800  1
