# generated using pymatgen
data_LiFe2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.03356571
_cell_length_b   3.01759517
_cell_length_c   7.46357389
_cell_angle_alpha   89.59208486
_cell_angle_beta   89.95232599
_cell_angle_gamma   120.11241919
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2O3
_chemical_formula_sum   'Li1 Fe2 O3'
_cell_volume   59.09927158
_cell_formula_units_Z   1
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  0.99707100  0.00000300  0.49968700  1
  Fe  Fe1  1  0.66553500  0.33402800  0.82005200  1
  Fe  Fe2  1  0.33086100  0.66567600  0.18055000  1
  O  O3  1  0.98137200  0.99963400  0.99891700  1
  O  O4  1  0.34199900  0.66004900  0.67919300  1
  O  O5  1  0.68314200  0.34060900  0.32160100  1
