# generated using pymatgen
data_Li3FeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.94711506
_cell_length_b   6.94711506
_cell_length_c   6.94711506
_cell_angle_alpha   109.47122063
_cell_angle_beta   109.47122063
_cell_angle_gamma   109.47122063
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3FeO4
_chemical_formula_sum   'Li12 Fe4 O16'
_cell_volume   258.10212772
_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  0.25423113  0.50724026  0.50724026  1
  Li  Li1  1  0.25300913  0.25300913  0.74576887  1
  Li  Li2  1  0.00000000  0.74699087  0.49275974  1
  Li  Li3  1  0.49275974  0.74699087  -0.00000000  1
  Li  Li4  1  0.50724026  0.25423113  0.50724026  1
  Li  Li5  1  0.25300913  0.74576887  0.25300913  1
  Li  Li6  1  0.49275974  0.00000000  0.74699087  1
  Li  Li7  1  0.74699087  0.00000000  0.49275974  1
  Li  Li8  1  0.50724026  0.50724026  0.25423113  1
  Li  Li9  1  0.74576887  0.25300913  0.25300913  1
  Li  Li10  1  0.74699087  0.49275974  0.00000000  1
  Li  Li11  1  0.00000000  0.49275974  0.74699087  1
  Fe  Fe12  1  -0.00000000  -0.00000000  0.26669085  1
  Fe  Fe13  1  -0.00000000  0.26669085  -0.00000000  1
  Fe  Fe14  1  0.26669085  0.00000000  0.00000000  1
  Fe  Fe15  1  0.73330915  0.73330915  0.73330915  1
  O  O16  1  0.00000000  0.22880290  0.47422281  1
  O  O17  1  0.22880290  0.00000000  0.47422281  1
  O  O18  1  0.22880290  0.47422281  0.00000000  1
  O  O19  1  0.52577719  0.75458010  0.52577719  1
  O  O20  1  0.24541990  0.77119710  0.77119710  1
  O  O21  1  0.00000000  -0.00000000  0.77547868  1
  O  O22  1  0.00000000  0.77547868  0.00000000  1
  O  O23  1  0.22452132  0.22452132  0.22452132  1
  O  O24  1  0.47422281  0.22880290  0.00000000  1
  O  O25  1  0.47422281  0.00000000  0.22880290  1
  O  O26  1  0.52577719  0.52577719  0.75458010  1
  O  O27  1  0.77119710  0.77119710  0.24541990  1
  O  O28  1  0.77547868  -0.00000000  -0.00000000  1
  O  O29  1  0.00000000  0.47422281  0.22880290  1
  O  O30  1  0.75458010  0.52577719  0.52577719  1
  O  O31  1  0.77119710  0.24541990  0.77119710  1
