data_[Ta6Tl12Te6O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Tl  1.6200  1.9000  1.3325
  Te  2.1000  1.4000  1.2933
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.1748]
_cell_length_b [6.1748]
_cell_length_c [29.5830]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [TaTl2TeO6]
_chemical_formula_sum '[Ta6 Tl12 Te6 O36]'
_cell_volume [976.8400]
_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
[
  Ta  Ta0  6  0.0000  0.0000  0.4014  1
  Tl  Tl1  6  0.0000  0.0000  0.1332  1
  Tl  Tl2  6  0.0000  0.0000  0.2691  1
  Te  Te3  3  -0.0000  -0.0000  0.5000  1
  Te  Te4  3  0.0000  0.0000  0.0000  1
  O  O5  18  0.0115  0.5057  0.2926  1
  O  O6  18  0.0557  0.5278  0.1233  1
]