# generated using pymatgen
data_TiFeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.82202966
_cell_length_b   9.65203662
_cell_length_c   7.59234000
_cell_angle_alpha   89.99980788
_cell_angle_beta   90.00034816
_cell_angle_gamma   89.99996542
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiFeO4
_chemical_formula_sum   'Ti4 Fe4 O16'
_cell_volume   280.08423304
_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
  Ti  Ti0  1  0.99999800  0.24690100  0.75474600  1.0
  Ti  Ti1  1  0.49999800  0.75495300  0.50366000  1.0
  Ti  Ti2  1  0.00000000  0.25501700  0.24636400  1.0
  Ti  Ti3  1  0.50000100  0.74690700  0.99521100  1.0
  Fe  Fe4  1  0.00000000  0.00785400  0.49861000  1.0
  Fe  Fe5  1  0.50000100  0.50788200  0.25139500  1.0
  Fe  Fe6  1  0.50000000  0.49025100  0.74897000  1.0
  Fe  Fe7  1  0.99999900  0.99026800  0.00105600  1.0
  O  O8  1  0.00000000  0.45171700  0.74854300  1.0
  O  O9  1  0.50000000  0.95997600  0.49828500  1.0
  O  O10  1  0.00000000  0.46004600  0.25170300  1.0
  O  O11  1  0.50000100  0.95172600  0.00146800  1.0
  O  O12  1  0.00000000  0.04187100  0.74164100  1.0
  O  O13  1  0.50000400  0.54598200  0.49182000  1.0
  O  O14  1  0.99999700  0.04604100  0.25822700  1.0
  O  O15  1  0.50000100  0.54187100  0.00831300  1.0
  O  O16  1  0.00000100  0.80402500  0.50080600  1.0
  O  O17  1  0.50000000  0.30414900  0.24916300  1.0
  O  O18  1  0.00000200  0.78804300  0.99749600  1.0
  O  O19  1  0.49999900  0.28801700  0.75252400  1.0
  O  O20  1  0.50000200  0.70084500  0.74742600  1.0
  O  O21  1  0.99999600  0.20741700  0.49883900  1.0
  O  O22  1  0.50000400  0.70735900  0.25114000  1.0
  O  O23  1  0.99999800  0.20088300  0.00259400  1.0