# generated using pymatgen
data_LiFeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.79940734
_cell_length_b   5.79940734
_cell_length_c   6.19466001
_cell_angle_alpha   72.88444898
_cell_angle_beta   72.88444898
_cell_angle_gamma   29.07169064
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeO3
_chemical_formula_sum   'Li2 Fe2 O6'
_cell_volume   96.44365165
_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  0.11140500  0.11140500  0.67920400  1
  Li  Li1  1  0.88859500  0.88859500  0.32079600  1
  Fe  Fe2  1  0.32643700  0.32643700  0.80408700  1
  Fe  Fe3  1  0.67356300  0.67356300  0.19591300  1
  O  O4  1  0.49640100  0.49640100  0.62041700  1
  O  O5  1  0.50359900  0.50359900  0.37958300  1
  O  O6  1  0.84898300  0.84898300  0.00053400  1
  O  O7  1  0.78588100  0.78588100  0.64604200  1
  O  O8  1  0.15101700  0.15101700  0.99946600  1
  O  O9  1  0.21411900  0.21411900  0.35395800  1
