# generated using pymatgen
data_Li3TiFe3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.91843606
_cell_length_b   5.91843606
_cell_length_c   9.61660500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000071
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3TiFe3O8
_chemical_formula_sum   'Li6 Ti2 Fe6 O16'
_cell_volume   291.72008208
_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  0.82398700  0.17601300  0.55833800  1
  Li  Li1  1  0.82398700  0.64797300  0.55833800  1
  Li  Li2  1  0.35202700  0.17601300  0.55833800  1
  Li  Li3  1  0.64797300  0.82398700  0.05833800  1
  Li  Li4  1  0.17601300  0.35202700  0.05833800  1
  Li  Li5  1  0.17601300  0.82398700  0.05833800  1
  Ti  Ti6  1  0.66666700  0.33333300  0.00260000  1
  Ti  Ti7  1  0.33333300  0.66666700  0.50260000  1
  Fe  Fe8  1  0.83053700  0.16946300  0.28484300  1
  Fe  Fe9  1  0.83053700  0.66107500  0.28484300  1
  Fe  Fe10  1  0.33892500  0.16946300  0.28484300  1
  Fe  Fe11  1  0.66107500  0.83053700  0.78484300  1
  Fe  Fe12  1  0.16946300  0.33892500  0.78484300  1
  Fe  Fe13  1  0.16946300  0.83053700  0.78484300  1
  O  O14  1  0.83261300  0.16738700  0.90915200  1
  O  O15  1  0.96355700  0.48177800  0.15414300  1
  O  O16  1  0.83261300  0.66522600  0.90915200  1
  O  O17  1  0.00000000  0.00000000  0.67729000  1
  O  O18  1  0.66666700  0.33333300  0.40470400  1
  O  O19  1  0.00000000  0.00000000  0.17729000  1
  O  O20  1  0.51822200  0.03644300  0.15414300  1
  O  O21  1  0.51822200  0.48177800  0.15414300  1
  O  O22  1  0.33477400  0.16738700  0.90915200  1
  O  O23  1  0.66522600  0.83261300  0.40915200  1
  O  O24  1  0.48177800  0.51822200  0.65414300  1
  O  O25  1  0.33333300  0.66666700  0.90470400  1
  O  O26  1  0.16738700  0.33477400  0.40915200  1
  O  O27  1  0.48177800  0.96355700  0.65414300  1
  O  O28  1  0.03644300  0.51822200  0.65414300  1
  O  O29  1  0.16738700  0.83261300  0.40915200  1
