# generated using pymatgen
data_LiFePO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.61588600
_cell_length_b   8.38131100
_cell_length_c   6.23913200
_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   293.66650410
_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  0.76417900  0.08648500  0.75000100  1
  Li  Li1  1  0.26417900  0.58648500  0.75000100  1
  Li  Li2  1  0.26417900  0.91351500  0.25000000  1
  Li  Li3  1  0.76417900  0.41351500  0.25000000  1
  Fe  Fe4  1  0.76404700  0.75000000  0.00000000  1
  Fe  Fe5  1  0.76404700  0.75000000  0.50000000  1
  Fe  Fe6  1  0.26404700  0.25000000  0.00000000  1
  Fe  Fe7  1  0.26404700  0.25000000  0.50000000  1
  P  P8  1  0.26409300  0.90058600  0.75000000  1
  P  P9  1  0.76409300  0.40058600  0.75000000  1
  P  P10  1  0.76409300  0.09941400  0.25000000  1
  P  P11  1  0.26409300  0.59941400  0.25000000  1
  O  O12  1  0.26410200  0.00434700  0.95377200  1
  O  O13  1  0.76410200  0.50434700  0.95377200  1
  O  O14  1  0.26410200  0.00434700  0.54622800  1
  O  O15  1  0.76410200  0.50434700  0.54622800  1
  O  O16  1  0.76410200  0.99565300  0.45377200  1
  O  O17  1  0.26410200  0.49565300  0.45377200  1
  O  O18  1  0.76410200  0.99565300  0.04622800  1
  O  O19  1  0.26410200  0.49565300  0.04622800  1
  O  O20  1  0.54136400  0.28646000  0.75000000  1
  O  O21  1  0.04136400  0.78646000  0.75000000  1
  O  O22  1  0.48683300  0.78645800  0.75000000  1
  O  O23  1  0.98683300  0.28645800  0.75000000  1
  O  O24  1  0.48683300  0.71354200  0.25000000  1
  O  O25  1  0.98683300  0.21354200  0.25000000  1
  O  O26  1  0.54136400  0.21354000  0.25000000  1
  O  O27  1  0.04136400  0.71354000  0.25000000  1
