data_[Na18Dy3Tl36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Dy  1.2200  1.7500  1.1310
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [12.2318]
_cell_length_b [12.2318]
_cell_length_c [13.2372]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Na6DyTl12]
_chemical_formula_sum '[Na18 Dy3 Tl36]'
_cell_volume [1715.1736]
_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  18  0.0159  0.4214  0.7146  1
  Dy  Dy1  3  0.0000  0.0000  0.0000  1
  Tl  Tl2  18  0.0435  0.1846  0.8188  1
  Tl  Tl3  18  0.0543  0.8624  0.4032  1
]