data_[Na3Sm6Tl3Hg12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sm  1.1700  1.8500  1.2290
  Tl  1.6200  1.9000  1.3325
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.2390]
_cell_length_b [5.2390]
_cell_length_c [25.6899]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [NaSm2TlHg4]
_chemical_formula_sum '[Na3 Sm6 Tl3 Hg12]'
_cell_volume [610.6452]
_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  3  -0.0000  -0.0000  0.5000  1
  Sm  Sm1  6  0.0000  0.0000  0.2540  1
  Tl  Tl2  3  0.0000  0.0000  0.0000  1
  Hg  Hg3  6  0.0000  0.0000  0.1315  1
  Hg  Hg4  6  0.0000  0.0000  0.3810  1
]