[CIF]
data_TiFe2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.18011309
_cell_length_b   11.18011309
_cell_length_c   9.80458739
_cell_angle_alpha   115.34905726
_cell_angle_beta   115.34905726
_cell_angle_gamma   19.44081625
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiFe2O5
_chemical_formula_sum   'Ti4 Fe8 O20'
_cell_volume   367.40527161
_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
  Fe  Fe0  1  6.85385284  0.00000000  7.39400006  1
  Fe  Fe1  1  19.93811269  -0.00000000  2.89289224  1
  Fe  Fe2  1  7.98593644  0.00000000  0.61618127  1
  Fe  Fe3  1  16.65708908  -0.00000000  1.22637560  1
  Fe  Fe4  1  1.12332267  0.00000000  7.60496507  1
  Fe  Fe5  1  9.79447531  -0.00000000  8.21515940  1
  Fe  Fe6  1  -2.15770094  0.00000000  5.93844843  1
  Fe  Fe7  1  10.92655891  -0.00000000  1.43734061  1
  O  O8  1  9.08404969  0.00000000  2.44712149  1
  O  O9  1  17.83028096  -0.00000000  6.77393733  1
  O  O10  1  5.49518250  0.00000000  8.72889960  1
  O  O11  1  18.62344970  0.00000000  4.31396252  1
  O  O12  1  18.70944566  0.00000000  1.22233950  1
  O  O13  1  5.48782335  0.00000000  5.47563116  1
  O  O14  1  3.19108444  -0.00000000  7.51501186  1
  O  O15  1  16.28468289  0.00000000  3.17971352  1
  O  O16  1  5.88624338  0.00000000  0.84167649  1
  O  O17  1  14.75360959  -0.00000000  5.28308117  1
  O  O18  1  3.02680216  0.00000000  3.54825950  1
  O  O19  1  11.89416837  0.00000000  7.98966419  1
  O  O20  1  1.49572886  0.00000000  5.65162715  1
  O  O21  1  14.58932731  -0.00000000  1.31632881  1
  O  O22  1  12.29258840  0.00000000  3.35570951  1
  O  O23  1  -0.92903391  0.00000000  7.60900117  1
  O  O24  1  -0.84303795  0.00000000  4.51737815  1
  O  O25  1  12.28522925  -0.00000000  0.10244108  1
  O  O26  1  -0.04986921  0.00000000  2.05740335  1
  O  O27  1  8.69636206  0.00000000  6.38421918  1
  Ti  Ti28  1  16.92030735  0.00000000  5.00276797  1
  Ti  Ti29  1  3.42033356  0.00000000  5.73420593  1
  Ti  Ti30  1  14.36007818  0.00000000  3.09713475  1
  Ti  Ti31  1  0.86010440  0.00000000  3.82857270  1
[/CIF]
