# generated using pymatgen
data_LiFePO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.70060300
_cell_length_b   5.85886400
_cell_length_c   8.06793300
_cell_angle_alpha   89.99956470
_cell_angle_beta   90.00005856
_cell_angle_gamma   89.99954391
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFePO4
_chemical_formula_sum   'Li4 Fe4 P4 O16'
_cell_volume   269.46135974
_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  0.00000800  0.99995300  0.99998900  1
  Li  Li1  1  0.50001500  0.50000500  0.49998300  1
  Li  Li2  1  0.50000400  0.99995100  0.99999000  1
  Li  Li3  1  0.99999300  0.50000200  0.49999000  1
  Fe  Fe4  1  0.75001600  0.75005800  0.74986600  1
  Fe  Fe5  1  0.24985800  0.75016100  0.25010800  1
  Fe  Fe6  1  0.25005300  0.25004000  0.25015000  1
  Fe  Fe7  1  0.75000100  0.25008400  0.75002800  1
  P  P8  1  0.75000500  0.49997300  0.12103600  1
  P  P9  1  0.24999900  0.99999700  0.62103900  1
  P  P10  1  0.75000000  0.00000200  0.37896400  1
  P  P11  1  0.25000300  0.49996400  0.87896700  1
  O  O12  1  0.75000300  0.77948700  0.48675800  1
  O  O13  1  0.25000800  0.27947900  0.98678800  1
  O  O14  1  0.75000600  0.27948900  0.01322000  1
  O  O15  1  0.25000300  0.77950100  0.51323000  1
  O  O16  1  0.75000300  0.22049000  0.48680100  1
  O  O17  1  0.25000600  0.72047800  0.98676100  1
  O  O18  1  0.75000700  0.72046800  0.01322100  1
  O  O19  1  0.25000400  0.22048200  0.51319600  1
  O  O20  1  0.97300400  0.49997500  0.23725900  1
  O  O21  1  0.47299800  0.00000300  0.73725800  1
  O  O22  1  0.52700000  0.49998400  0.23726100  1
  O  O23  1  0.02700300  0.00000900  0.73725800  1
  O  O24  1  0.52701900  0.00000500  0.26272100  1
  O  O25  1  0.02702100  0.49997600  0.76271900  1
  O  O26  1  0.97297500  0.00001000  0.26272200  1
  O  O27  1  0.47298700  0.49997500  0.76271900  1
