data_[Ti3Tl3Fe6O18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Tl  1.6200  1.9000  1.3325
  Fe  1.8300  1.4000  0.8525
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.2310]
_cell_length_b [5.2310]
_cell_length_c [14.4501]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [TiTl(FeO3)2]
_chemical_formula_sum '[Ti3 Tl3 Fe6 O18]'
_cell_volume [342.4338]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.9878  1
  Tl  Tl1  3  0.0000  0.0000  0.5073  1
  Fe  Fe2  3  0.0000  0.0000  0.2920  1
  Fe  Fe3  3  0.0000  0.0000  0.7777  1
  O  O4  9  0.0139  0.4013  0.5561  1
  O  O5  9  0.0370  0.6808  0.0411  1
]