# generated using pymatgen
data_LiFeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.61594526
_cell_length_b   6.61594526
_cell_length_c   5.99167024
_cell_angle_alpha   76.76104320
_cell_angle_beta   76.76104320
_cell_angle_gamma   25.13909724
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeO3
_chemical_formula_sum   'Li2 Fe2 O6'
_cell_volume   108.30220626
_cell_formula_units_Z   2
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  0.50000000  0.50000000  0.50000000  1
  Li  Li1  1  0.50000000  0.50000000  0.00000000  1
  Fe  Fe2  1  0.16489200  0.16489200  0.67819400  1
  Fe  Fe3  1  0.83510800  0.83510800  0.32180600  1
  O  O4  1  0.97470300  0.97470300  0.26378700  1
  O  O5  1  0.32466900  0.32466900  0.54672700  1
  O  O6  1  0.02529700  0.02529700  0.73621300  1
  O  O7  1  0.32882800  0.32882800  0.12698300  1
  O  O8  1  0.67533100  0.67533100  0.45327300  1
  O  O9  1  0.67117200  0.67117200  0.87301700  1
