# generated using pymatgen
data_LiFePO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.68946802
_cell_length_b   8.07802079
_cell_length_c   8.07907571
_cell_angle_alpha   62.43152404
_cell_angle_beta   69.38027362
_cell_angle_gamma   69.38850754
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFePO4
_chemical_formula_sum   'Li4 Fe4 P4 O16'
_cell_volume   299.96238455
_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  0.50000400  0.99998500  0.00000000  1
  Li  Li1  1  0.00000200  0.50000100  0.49998900  1
  Li  Li2  1  0.25000100  0.24999200  0.25000300  1
  Li  Li3  1  0.75000700  0.74999500  0.74998500  1
  Fe  Fe4  1  0.37495800  0.44306900  0.80700400  1
  Fe  Fe5  1  0.12498700  0.05697600  0.69307000  1
  Fe  Fe6  1  0.87499200  0.94303800  0.30693500  1
  Fe  Fe7  1  0.62502300  0.55695000  0.19304400  1
  P  P8  1  0.12502300  0.72896900  0.02106200  1
  P  P9  1  0.62499700  0.22898900  0.52106100  1
  P  P10  1  0.37497800  0.77102400  0.47895000  1
  P  P11  1  0.87500500  0.27101700  0.97892800  1
  O  O12  1  0.65474700  0.15907100  0.09087900  1
  O  O13  1  0.15470900  0.65906000  0.59091500  1
  O  O14  1  0.40479000  0.34090600  0.40912500  1
  O  O15  1  0.90479200  0.84092000  0.90909600  1
  O  O16  1  0.09522300  0.15908600  0.09086900  1
  O  O17  1  0.59521100  0.65908100  0.59090000  1
  O  O18  1  0.84524400  0.34092800  0.40911100  1
  O  O19  1  0.34530400  0.84093100  0.90908700  1
  O  O20  1  0.22426000  0.52002600  0.03143700  1
  O  O21  1  0.72424600  0.02006700  0.53142000  1
  O  O22  1  0.02567400  0.71868500  0.22996900  1
  O  O23  1  0.52569100  0.21865800  0.72994100  1
  O  O24  1  0.47431900  0.78131800  0.27004000  1
  O  O25  1  0.97432200  0.28134800  0.77002800  1
  O  O26  1  0.27573700  0.97995400  0.46857900  1
  O  O27  1  0.77575200  0.47995500  0.96857200  1
