# generated using pymatgen
data_LiFe3O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.03141259
_cell_length_b   6.03141259
_cell_length_c   6.11147806
_cell_angle_alpha   59.70231966
_cell_angle_beta   59.70231966
_cell_angle_gamma   87.82211075
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe3O4
_chemical_formula_sum   'Li2 Fe6 O8'
_cell_volume   158.59502418
_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  0.00000000  0.00000000  1
  Li  Li1  1  0.00000000  0.50000000  0.50000000  1
  Fe  Fe2  1  0.00000000  0.00000000  0.00000000  1
  Fe  Fe3  1  0.00000000  0.50000000  0.00000000  1
  Fe  Fe4  1  0.50000000  0.50000000  0.50000000  1
  Fe  Fe5  1  0.50000000  0.50000000  0.00000000  1
  Fe  Fe6  1  0.50000000  0.00000000  0.50000000  1
  Fe  Fe7  1  0.00000000  0.00000000  0.50000000  1
  O  O8  1  0.75788300  0.26096700  0.99755000  1
  O  O9  1  0.72220200  0.73466300  0.02064200  1
  O  O10  1  0.26096700  0.75788300  0.49755000  1
  O  O11  1  0.26533700  0.27779800  0.47935800  1
  O  O12  1  0.73466300  0.72220200  0.52064200  1
  O  O13  1  0.73903300  0.24211700  0.50245000  1
  O  O14  1  0.27779800  0.26533700  0.97935800  1
  O  O15  1  0.24211700  0.73903300  0.00245000  1
