# generated using pymatgen
data_LiFePO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.76352700
_cell_length_b   6.91540600
_cell_length_c   9.54124700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFePO4
_chemical_formula_sum   'Li4 Fe4 P4 O16'
_cell_volume   314.30511763
_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  0.00791300  0.09489600  0.03209900  1
  Li  Li1  1  0.99208700  0.59489600  0.46790100  1
  Li  Li2  1  0.49208700  0.90510400  0.53209900  1
  Li  Li3  1  0.50791300  0.40510400  0.96790100  1
  Fe  Fe4  1  0.45569600  0.76840600  0.18586200  1
  Fe  Fe5  1  0.54430400  0.26840600  0.31413800  1
  Fe  Fe6  1  0.04430400  0.23159400  0.68586200  1
  Fe  Fe7  1  0.95569600  0.73159400  0.81413800  1
  P  P8  1  0.90625300  0.50312400  0.15389000  1
  P  P9  1  0.09374700  0.00312400  0.34611000  1
  P  P10  1  0.59374700  0.49687600  0.65389000  1
  P  P11  1  0.40625300  0.99687600  0.84611000  1
  O  O12  1  0.78684800  0.66877500  0.05981000  1
  O  O13  1  0.78453200  0.30461200  0.10645400  1
  O  O14  1  0.23025900  0.50329800  0.15761900  1
  O  O15  1  0.23437000  0.03500300  0.19869200  1
  O  O16  1  0.76563000  0.53500300  0.30130800  1
  O  O17  1  0.76974100  0.00329800  0.34238100  1
  O  O18  1  0.21546800  0.80461200  0.39354600  1
  O  O19  1  0.21315200  0.16877500  0.44019000  1
  O  O20  1  0.71315200  0.33122500  0.55981000  1
  O  O21  1  0.71546800  0.69538800  0.60645400  1
  O  O22  1  0.26974100  0.49670200  0.65761900  1
  O  O23  1  0.26563000  0.96499700  0.69869200  1
  O  O24  1  0.73437000  0.46499700  0.80130800  1
  O  O25  1  0.73025900  0.99670200  0.84238100  1
  O  O26  1  0.28453200  0.19538800  0.89354600  1
  O  O27  1  0.28684800  0.83122500  0.94019000  1
