data_[Ti6Tl12As6O36]
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
  As  2.1800  1.1500  0.6600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.7010]
_cell_length_b [5.7010]
_cell_length_c [27.8212]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [TiTl2AsO6]
_chemical_formula_sum '[Ti6 Tl12 As6 O36]'
_cell_volume [783.0759]
_cell_formula_units_Z [6]
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  6  0.0000  0.0000  0.4007  1
  Tl  Tl1  6  0.0000  0.0000  0.1327  1
  Tl  Tl2  6  0.0000  0.0000  0.2750  1
  As  As3  3  -0.0000  -0.0000  0.5000  1
  As  As4  3  0.0000  0.0000  0.0000  1
  O  O5  18  0.0167  0.5083  0.7046  1
  O  O6  18  0.0443  0.5222  0.1237  1
]