data_[Na18Ho3Tl36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ho  1.2300  1.7500  1.0410
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [12.2799]
_cell_length_b [12.2799]
_cell_length_c [13.2977]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Na6HoTl12]
_chemical_formula_sum '[Na18 Ho3 Tl36]'
_cell_volume [1736.5937]
_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  0.0161  0.4215  0.7148  1.0
  Ho  Ho1  3  0.0000  0.0000  0.0000  1.0
  Tl  Tl2  18  0.0435  0.1846  0.8191  1.0
  Tl  Tl3  18  0.0546  0.8627  0.4029  1.0
]