data_[Sm18Tl24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [14.4765]
_cell_length_b [14.4765]
_cell_length_c [6.6259]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Sm3Tl4]
_chemical_formula_sum '[Sm18 Tl24]'
_cell_volume [1202.5341]
_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
[
  Sm  Sm0  18  0.0462  0.8289  0.7234  1
  Tl  Tl1  18  0.0538  0.7942  0.2001  1
  Tl  Tl2  3  0.0000  0.0000  0.0000  1
  Tl  Tl3  3  0.0000  0.0000  0.5000  1
]