# generated using pymatgen
data_Li3TiFe3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.97857094
_cell_length_b   6.01593914
_cell_length_c   8.47672413
_cell_angle_alpha   89.40882598
_cell_angle_beta   90.00021350
_cell_angle_gamma   90.00006842
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3TiFe3O8
_chemical_formula_sum   'Li6 Ti2 Fe6 O16'
_cell_volume   304.86372556
_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  0.24999800  0.75001100  0.74998600  1
  Li  Li1  1  0.75000000  0.25001200  0.24998600  1
  Li  Li2  1  0.49996400  0.00000100  0.50000000  1
  Li  Li3  1  0.99996500  0.50000100  0.00000000  1
  Li  Li4  1  0.24999900  0.24999000  0.25001400  1
  Li  Li5  1  0.75000000  0.74999000  0.75001400  1
  Ti  Ti6  1  0.00014600  0.99999900  0.00000200  1
  Ti  Ti7  1  0.50014400  0.50000000  0.50000200  1
  Fe  Fe8  1  0.75003400  0.25003000  0.75002600  1
  Fe  Fe9  1  0.50002900  0.00000100  0.99999900  1
  Fe  Fe10  1  0.75003500  0.74997000  0.24997500  1
  Fe  Fe11  1  0.25003200  0.75002900  0.25002700  1
  Fe  Fe12  1  0.00003000  0.50000000  0.49999900  1
  Fe  Fe13  1  0.25003300  0.24996700  0.74997200  1
  O  O14  1  0.99975900  0.51758700  0.25865600  1
  O  O15  1  0.49975700  0.01758600  0.75865300  1
  O  O16  1  0.49976000  0.98241500  0.24134700  1
  O  O17  1  0.99976300  0.48241400  0.74134400  1
  O  O18  1  0.26000000  0.27469800  0.50740800  1
  O  O19  1  0.76000100  0.77469800  0.00740800  1
  O  O20  1  0.50007700  0.51498600  0.26749000  1
  O  O21  1  0.00008000  0.01498700  0.76748900  1
  O  O22  1  0.24006200  0.77488000  0.00754000  1
  O  O23  1  0.74006200  0.27488100  0.50753700  1
  O  O24  1  0.24005800  0.22512900  0.99246400  1
  O  O25  1  0.74005900  0.72512700  0.49246600  1
  O  O26  1  0.00007800  0.98501200  0.23251000  1
  O  O27  1  0.50007500  0.48501200  0.73250900  1
  O  O28  1  0.25999800  0.72529400  0.49258700  1
  O  O29  1  0.75999900  0.22529500  0.99258700  1
