# generated using pymatgen
data_LiFePO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98960538
_cell_length_b   4.98939341
_cell_length_c   16.32515242
_cell_angle_alpha   94.68168117
_cell_angle_beta   85.31364880
_cell_angle_gamma   78.12810852
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFePO4
_chemical_formula_sum   'Li4 Fe4 P4 O16'
_cell_volume   394.36986979
_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  0.54684900  0.79968300  0.93724700  1
  Li  Li1  1  0.79969800  0.54718600  0.56277000  1
  Li  Li2  1  0.20034900  0.45277200  0.43723500  1
  Li  Li3  1  0.45321300  0.20029500  0.06275700  1
  Fe  Fe4  1  0.16816100  0.67760000  0.25108000  1
  Fe  Fe5  1  0.83155300  0.32256600  0.74891400  1
  Fe  Fe6  1  0.32206800  0.83218700  0.75109000  1
  Fe  Fe7  1  0.67784800  0.16792600  0.24887400  1
  P  P8  1  0.28178700  0.37164100  0.63721600  1
  P  P9  1  0.37159200  0.28165900  0.86280000  1
  P  P10  1  0.62841400  0.71832700  0.13720900  1
  P  P11  1  0.71824000  0.62833300  0.36279200  1
  O  O12  1  0.06856000  0.58915100  0.69939700  1
  O  O13  1  0.41073900  0.93155900  0.19933700  1
  O  O14  1  0.58929700  0.06841500  0.80066400  1
  O  O15  1  0.93147900  0.41081700  0.30060300  1
  O  O16  1  0.08648900  0.23999500  0.83920500  1
  O  O17  1  0.75963600  0.91359600  0.33929500  1
  O  O18  1  0.24040100  0.08640300  0.66070400  1
  O  O19  1  0.91350600  0.75998900  0.16078700  1
  O  O20  1  0.42853400  0.57321700  0.84603700  1
  O  O21  1  0.42671700  0.57132800  0.34603600  1
  O  O22  1  0.57329700  0.42863300  0.65396300  1
  O  O23  1  0.57149200  0.42679100  0.15396500  1
  O  O24  1  0.21810700  0.41241400  0.54915500  1
  O  O25  1  0.58797700  0.78188800  0.04910900  1
  O  O26  1  0.41206100  0.21808500  0.95090300  1
  O  O27  1  0.78193800  0.58754300  0.45085500  1
