data_[Na12Ac9Tl3O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ac  1.1000  1.9500  1.2600
  Tl  1.6200  1.9000  1.3325
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.4164]
_cell_length_b [7.4164]
_cell_length_c [17.1818]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Na4Ac3TlO8]
_chemical_formula_sum '[Na12 Ac9 Tl3 O24]'
_cell_volume [818.4491]
_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
[
  Na  Na0  9  0.0000  0.5000  0.5000  1
  Na  Na1  3  -0.0000  -0.0000  0.5000  1
  Ac  Ac2  9  0.0000  0.5000  0.0000  1
  Tl  Tl3  3  -0.0000  -0.0000  0.0000  1
  O  O4  18  0.0110  0.5055  0.7429  1
  O  O5  6  0.0000  0.0000  0.2608  1
]