# generated using pymatgen
data_LiFePO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25938207
_cell_length_b   5.26055712
_cell_length_c   26.51308200
_cell_angle_alpha   89.99978164
_cell_angle_beta   89.99985465
_cell_angle_gamma   119.97420468
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFePO4
_chemical_formula_sum   'Li6 Fe6 P6 O24'
_cell_volume   635.43354226
_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  0.00000200  0.99999900  0.08335600  1
  Li  Li1  1  0.00000300  0.00000100  0.58332800  1
  Li  Li2  1  0.00000000  0.00000000  0.24995300  1
  Li  Li3  1  0.00000000  0.00000100  0.75001900  1
  Li  Li4  1  0.00000000  0.99999800  0.41662800  1
  Li  Li5  1  0.99999800  0.99999900  0.91671000  1
  Fe  Fe6  1  0.99998900  0.49999800  0.83330600  1
  Fe  Fe7  1  0.50002700  0.49999800  0.66669600  1
  Fe  Fe8  1  0.50000500  0.99999400  0.50002600  1
  Fe  Fe9  1  0.00002200  0.49999800  0.33333500  1
  Fe  Fe10  1  0.50000300  0.50000700  0.16665000  1
  Fe  Fe11  1  0.49999300  0.00001000  0.99997400  1
  P  P12  1  0.99999800  0.49999400  0.08333100  1
  P  P13  1  0.00000200  0.50000200  0.58325300  1
  P  P14  1  0.50000000  0.49999800  0.41660200  1
  P  P15  1  0.50000200  0.50001100  0.91675100  1
  P  P16  1  0.49999800  0.00000200  0.24999100  1
  P  P17  1  0.49999900  0.00000000  0.75007600  1
  O  O18  1  0.18271500  0.77833900  0.05069900  1
  O  O19  1  0.18281300  0.77816600  0.55061200  1
  O  O20  1  0.22196200  0.81740200  0.28267800  1
  O  O21  1  0.22175700  0.81720300  0.78270900  1
  O  O22  1  0.18299800  0.40505200  0.11603200  1
  O  O23  1  0.18295400  0.40491300  0.61596200  1
  O  O24  1  0.22207900  0.40512300  0.38393000  1
  O  O25  1  0.22171000  0.40454900  0.88406500  1
  O  O26  1  0.59544500  0.77829000  0.44927100  1
  O  O27  1  0.59521000  0.77822400  0.94938000  1
  O  O28  1  0.59498800  0.81693500  0.21731800  1
  O  O29  1  0.59511100  0.81716500  0.71735500  1
  O  O30  1  0.40500700  0.18306800  0.21731700  1
  O  O31  1  0.40488200  0.18283400  0.71735500  1
  O  O32  1  0.40455100  0.22170600  0.44927100  1
  O  O33  1  0.40479000  0.22178700  0.94937800  1
  O  O34  1  0.81699600  0.59494600  0.11603000  1
  O  O35  1  0.81704200  0.59508500  0.61596200  1
  O  O36  1  0.77792100  0.59487600  0.38393000  1
  O  O37  1  0.77829200  0.59545600  0.88406400  1
  O  O38  1  0.81728300  0.22165100  0.05069900  1
  O  O39  1  0.81718500  0.22183300  0.55061300  1
  O  O40  1  0.77803800  0.18259500  0.28267800  1
  O  O41  1  0.77823900  0.18279400  0.78270900  1
