# generated using pymatgen
data_Li3TiFe3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.61939600
_cell_length_b   6.60835697
_cell_length_c   10.25995402
_cell_angle_alpha   89.92864547
_cell_angle_beta   89.99335455
_cell_angle_gamma   89.92971934
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3TiFe3O8
_chemical_formula_sum   'Li6 Ti2 Fe6 O16'
_cell_volume   381.00254883
_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  0.91538000  0.61833700  0.50572200  1
  Li  Li1  1  0.91477400  0.61651100  0.00142500  1
  Li  Li2  1  0.58115000  0.12956900  0.75402500  1
  Li  Li3  1  0.42617300  0.87757500  0.50111400  1
  Li  Li4  1  0.42701900  0.87633000  0.00521000  1
  Li  Li5  1  0.08973300  0.37325500  0.25459800  1
  Ti  Ti6  1  0.08102000  0.87434700  0.75083700  1
  Ti  Ti7  1  0.08390000  0.87537600  0.25042700  1
  Fe  Fe8  1  0.91208800  0.13211500  0.50233700  1
  Fe  Fe9  1  0.91274100  0.13224300  0.00116200  1
  Fe  Fe10  1  0.58302300  0.62238300  0.75045700  1
  Fe  Fe11  1  0.58135600  0.62265900  0.25038200  1
  Fe  Fe12  1  0.41451600  0.37297900  0.50082800  1
  Fe  Fe13  1  0.41537700  0.37217000  0.00165400  1
  O  O14  1  0.92746600  0.09317900  0.81563300  1
  O  O15  1  0.95876700  0.10569200  0.31748400  1
  O  O16  1  0.90398800  0.66161100  0.80764800  1
  O  O17  1  0.91022500  0.64889200  0.30295400  1
  O  O18  1  0.57289100  0.61511100  0.56375700  1
  O  O19  1  0.57226000  0.61449900  0.06372300  1
  O  O20  1  0.58788000  0.13401300  0.55625400  1
  O  O21  1  0.58753800  0.13095200  0.03900100  1
  O  O22  1  0.45506200  0.38509900  0.81719800  1
  O  O23  1  0.42113100  0.39853000  0.31579500  1
  O  O24  1  0.39739300  0.85906200  0.80336000  1
  O  O25  1  0.38780300  0.84476600  0.30734000  1
  O  O26  1  0.08378400  0.36720700  0.53913900  1
  O  O27  1  0.08634000  0.36459800  0.05659700  1
  O  O28  1  0.06793200  0.88805400  0.56968500  1
  O  O29  1  0.07273700  0.88937000  0.06923400  1
