# generated using pymatgen
data_LiFePO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.36951100
_cell_length_b   5.56293451
_cell_length_c   8.31453558
_cell_angle_alpha   104.84924436
_cell_angle_beta   74.76590863
_cell_angle_gamma   113.12474075
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFePO4
_chemical_formula_sum   'Li2 Fe2 P2 O8'
_cell_volume   176.64520837
_cell_formula_units_Z   2
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  0.50000000  0.25000000  0.25000000  1
  Li  Li1  1  0.50000000  0.75000000  0.75000000  1
  Fe  Fe2  1  0.75000000  0.37500000  0.87500000  1
  Fe  Fe3  1  0.75000000  0.87500000  0.37500000  1
  P  P4  1  0.00000000  0.00000000  0.00000000  1
  P  P5  1  0.00000000  0.50000000  0.50000000  1
  O  O6  1  0.32178200  0.23809000  0.04475200  1
  O  O7  1  0.32178200  0.73809000  0.54475200  1
  O  O8  1  0.71715800  0.96755200  0.16089100  1
  O  O9  1  0.71715800  0.46755200  0.66089100  1
  O  O10  1  0.87155700  0.55191800  0.35857900  1
  O  O11  1  0.87155700  0.05191800  0.85857900  1
  O  O12  1  0.08950300  0.24244000  0.43577800  1
  O  O13  1  0.08950300  0.74244000  0.93577800  1
