# generated using pymatgen
data_LiFePO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.95935900
_cell_length_b   5.40361680
_cell_length_c   12.73870414
_cell_angle_alpha   86.91147875
_cell_angle_beta   90.00390821
_cell_angle_gamma   117.31411204
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFePO4
_chemical_formula_sum   'Li4 Fe4 P4 O16'
_cell_volume   302.75812886
_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  0.32398500  0.64460700  0.37397500  1
  Li  Li1  1  0.32389900  0.64406200  0.87413800  1
  Li  Li2  1  0.67937900  0.35538700  0.12602500  1
  Li  Li3  1  0.67983700  0.35593900  0.62586100  1
  Fe  Fe4  1  0.98323100  0.99828600  0.00025400  1
  Fe  Fe5  1  0.98488400  0.00165600  0.49974800  1
  Fe  Fe6  1  0.96146100  0.00007000  0.74998900  1
  Fe  Fe7  1  0.96040100  0.99996800  0.25001700  1
  P  P8  1  0.31854300  0.62522500  0.12188500  1
  P  P9  1  0.31961800  0.62530400  0.62197900  1
  P  P10  1  0.69331300  0.37477600  0.37811300  1
  P  P11  1  0.69431300  0.37469500  0.87801900  1
  O  O12  1  0.90310300  0.70484400  0.37029100  1
  O  O13  1  0.90441700  0.70509400  0.87092900  1
  O  O14  1  0.19826700  0.29515800  0.12972200  1
  O  O15  1  0.19933600  0.29490900  0.62908000  1
  O  O16  1  0.50378200  0.73519200  0.22093600  1
  O  O17  1  0.50536900  0.73488600  0.72101800  1
  O  O18  1  0.76858500  0.26482700  0.27906400  1
  O  O19  1  0.77047100  0.26513200  0.77897900  1
  O  O20  1  0.51504600  0.72823200  0.02026200  1
  O  O21  1  0.51803000  0.72971900  0.52060100  1
  O  O22  1  0.78682800  0.27174600  0.47973800  1
  O  O23  1  0.78833700  0.27025700  0.97939700  1
  O  O24  1  0.06347500  0.71863000  0.11679000  1
  O  O25  1  0.06411400  0.71734300  0.61726400  1
  O  O26  1  0.34485500  0.28138500  0.38320000  1
  O  O27  1  0.34678300  0.28267100  0.88272500  1
