# generated using pymatgen
data_LiFePO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.64378384
_cell_length_b   8.64378384
_cell_length_c   8.64378351
_cell_angle_alpha   107.65274601
_cell_angle_beta   107.65274601
_cell_angle_gamma   107.65275480
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFePO4
_chemical_formula_sum   'Li6 Fe6 P6 O24'
_cell_volume   527.97559768
_cell_formula_units_Z   6
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  0.89171300  0.12378800  0.72080300  1
  Li  Li1  1  0.42433300  0.21032900  0.60907000  1
  Li  Li2  1  0.60907000  0.42433300  0.21032900  1
  Li  Li3  1  0.12378800  0.72080300  0.89171300  1
  Li  Li4  1  0.21032900  0.60907000  0.42433300  1
  Li  Li5  1  0.72080300  0.89171300  0.12378800  1
  Fe  Fe6  1  0.45738500  0.05204700  0.23030900  1
  Fe  Fe7  1  0.76823300  0.53673300  0.94313400  1
  Fe  Fe8  1  0.05204700  0.23030900  0.45738500  1
  Fe  Fe9  1  0.94313400  0.76823300  0.53673300  1
  Fe  Fe10  1  0.23030900  0.45738500  0.05204700  1
  Fe  Fe11  1  0.53673300  0.94313400  0.76823300  1
  P  P12  1  0.28093900  0.09703600  0.87557600  1
  P  P13  1  0.78979100  0.38517400  0.57285400  1
  P  P14  1  0.87557600  0.28093900  0.09703600  1
  P  P15  1  0.38517400  0.57285400  0.78979100  1
  P  P16  1  0.57285400  0.78979100  0.38517400  1
  P  P17  1  0.09703600  0.87557600  0.28093900  1
  O  O18  1  0.96841500  0.29463000  0.96903000  1
  O  O19  1  0.39943100  0.09543200  0.77149700  1
  O  O20  1  0.08069000  0.02718500  0.74059300  1
  O  O21  1  0.90410300  0.27757200  0.59184000  1
  O  O22  1  0.28928600  0.02462300  0.35202500  1
  O  O23  1  0.74059300  0.08069000  0.02718500  1
  O  O24  1  0.68125100  0.36176400  0.68540600  1
  O  O25  1  0.65484700  0.30932700  0.37252400  1
  O  O26  1  0.30932700  0.37252400  0.65484700  1
  O  O27  1  0.91591300  0.58894900  0.64683400  1
  O  O28  1  0.77149700  0.39943100  0.09543200  1
  O  O29  1  0.35202500  0.28928600  0.02462300  1
  O  O30  1  0.58894900  0.64683400  0.91591300  1
  O  O31  1  0.27757200  0.59184000  0.90410300  1
  O  O32  1  0.02462300  0.35202500  0.28928600  1
  O  O33  1  0.36176400  0.68540600  0.68125100  1
  O  O34  1  0.68540600  0.68125100  0.36176400  1
  O  O35  1  0.37252400  0.65484700  0.30932700  1
  O  O36  1  0.64683400  0.91591300  0.58894900  1
  O  O37  1  0.96903000  0.96841500  0.29463000  1
  O  O38  1  0.29463000  0.96903000  0.96841500  1
  O  O39  1  0.09543200  0.77149700  0.39943100  1
  O  O40  1  0.59184000  0.90410300  0.27757200  1
  O  O41  1  0.02718500  0.74059300  0.08069000  1
