data_[Tl3In6Fe3O18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  In  1.7800  1.5500  0.9400
  Fe  1.8300  1.4000  0.8525
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.5335]
_cell_length_b [5.5335]
_cell_length_c [14.6719]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [TlIn2FeO6]
_chemical_formula_sum '[Tl3 In6 Fe3 O18]'
_cell_volume [389.0583]
_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
[
  Tl  Tl0  3  0.0000  0.0000  0.3013  1.0
  In  In1  3  0.0000  0.0000  0.0272  1.0
  In  In2  3  0.0000  0.0000  0.5185  1.0
  Fe  Fe3  3  0.0000  0.0000  0.8139  1.0
  O  O4  9  0.0086  0.6465  0.0869  1.0
  O  O5  9  0.0589  0.3790  0.5800  1.0
]