# generated using pymatgen
data_LiTiFeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.99951500
_cell_length_b   9.96216200
_cell_length_c   10.41519100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTiFeO4
_chemical_formula_sum   'Li4 Ti4 Fe4 O16'
_cell_volume   311.22313747
_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  0.25000000  0.12825300  0.12510800  1
  Li  Li1  1  0.75000000  0.37174700  0.62510800  1
  Li  Li2  1  0.25000000  0.62825300  0.37489200  1
  Li  Li3  1  0.75000000  0.87174700  0.87489200  1
  Ti  Ti4  1  0.75000000  0.22889700  0.85406300  1
  Ti  Ti5  1  0.25000000  0.27110300  0.35406300  1
  Ti  Ti6  1  0.75000000  0.72889700  0.64593700  1
  Ti  Ti7  1  0.25000000  0.77110300  0.14593700  1
  Fe  Fe8  1  0.25000000  0.00632600  0.63124900  1
  Fe  Fe9  1  0.75000000  0.49367400  0.13124900  1
  Fe  Fe10  1  0.25000000  0.50632600  0.86875100  1
  Fe  Fe11  1  0.75000000  0.99367400  0.36875100  1
  O  O12  1  0.25000000  0.10311400  0.45865500  1
  O  O13  1  0.25000000  0.15382900  0.94120800  1
  O  O14  1  0.75000000  0.10320300  0.71547000  1
  O  O15  1  0.75000000  0.15981800  0.25234900  1
  O  O16  1  0.25000000  0.34018200  0.75234900  1
  O  O17  1  0.25000000  0.39679700  0.21547000  1
  O  O18  1  0.75000000  0.34617100  0.44120800  1
  O  O19  1  0.75000000  0.39688600  0.95865500  1
  O  O20  1  0.25000000  0.60311400  0.04134500  1
  O  O21  1  0.25000000  0.65382900  0.55879200  1
  O  O22  1  0.75000000  0.60320300  0.78453000  1
  O  O23  1  0.75000000  0.65981800  0.24765100  1
  O  O24  1  0.25000000  0.84018200  0.74765100  1
  O  O25  1  0.25000000  0.89679700  0.28453000  1
  O  O26  1  0.75000000  0.84617100  0.05879200  1
  O  O27  1  0.75000000  0.89688600  0.54134500  1
