data_[Al3Tl6In3O18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Tl  1.6200  1.9000  1.3325
  In  1.7800  1.5500  0.9400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.5104]
_cell_length_b [5.5104]
_cell_length_c [14.2230]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [AlTl2InO6]
_chemical_formula_sum '[Al3 Tl6 In3 O18]'
_cell_volume [374.0147]
_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
[
  Al  Al0  3  0.0000  0.0000  0.3168  1.0
  Tl  Tl1  3  0.0000  0.0000  0.0373  1.0
  Tl  Tl2  3  0.0000  0.0000  0.5412  1.0
  In  In3  3  0.0000  0.0000  0.8120  1.0
  O  O4  9  0.0343  0.7399  0.4048  1.0
  O  O5  9  0.0609  0.3422  0.9133  1.0
]