# generated using pymatgen
data_LiTiFeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.96458589
_cell_length_b   6.00987000
_cell_length_c   8.49191566
_cell_angle_alpha   89.99971953
_cell_angle_beta   89.99989022
_cell_angle_gamma   90.00009946
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTiFeO4
_chemical_formula_sum   'Li4 Ti4 Fe4 O16'
_cell_volume   304.40448460
_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  0.00000100  0.25000200  0.12060100  1
  Li  Li1  1  0.50000000  0.74999700  0.62060100  1
  Li  Li2  1  0.00000000  0.74999700  0.87939800  1
  Li  Li3  1  0.49999900  0.25000200  0.37939800  1
  Ti  Ti4  1  0.24999900  0.74999600  0.24999800  1
  Ti  Ti5  1  0.74999500  0.24999700  0.74999400  1
  Ti  Ti6  1  0.75000400  0.74999700  0.24999500  1
  Ti  Ti7  1  0.24999900  0.25000100  0.74999800  1
  Fe  Fe8  1  0.49999900  0.00002200  0.00001300  1
  Fe  Fe9  1  0.00000900  0.99998500  0.49999900  1
  Fe  Fe10  1  0.99998700  0.50000300  0.50000300  1
  Fe  Fe11  1  0.50001000  0.49999700  0.00000000  1
  O  O12  1  0.99999800  0.52916600  0.25649200  1
  O  O13  1  0.50000100  0.02917300  0.75649100  1
  O  O14  1  0.00000000  0.97083100  0.25648800  1
  O  O15  1  0.50000100  0.47083500  0.75649100  1
  O  O16  1  0.00000100  0.02916700  0.74351000  1
  O  O17  1  0.50000100  0.52916500  0.24350900  1
  O  O18  1  0.00000000  0.47083600  0.74350700  1
  O  O19  1  0.50000000  0.97083500  0.24351100  1
  O  O20  1  0.22807700  0.74999400  0.48155100  1
  O  O21  1  0.72807900  0.25000300  0.98155300  1
  O  O22  1  0.77192100  0.74999700  0.48155000  1
  O  O23  1  0.27192300  0.25000600  0.98155200  1
  O  O24  1  0.77192100  0.24999900  0.51845000  1
  O  O25  1  0.27192400  0.74999900  0.01845100  1
  O  O26  1  0.22807500  0.25000100  0.51844700  1
  O  O27  1  0.72807700  0.74999900  0.01845000  1
