data_[Tb18Sm6Th9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Sm  1.1700  1.8500  1.2290
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.5858]
_cell_length_b [3.5858]
_cell_length_c [95.6068]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Tb6Sm2Th3]
_chemical_formula_sum '[Tb18 Sm6 Th9]'
_cell_volume [1064.6170]
_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
[
  Tb  Tb0  6  0.0000  0.0000  0.0896  1
  Tb  Tb1  6  0.0000  0.0000  0.1819  1
  Tb  Tb2  6  0.0000  0.0000  0.3633  1
  Sm  Sm3  6  0.0000  0.0000  0.4544  1
  Th  Th4  6  0.0000  0.0000  0.2732  1
  Th  Th5  3  0.0000  0.0000  0.0000  1
]