data_[Tb36Tm18Th3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Tm  1.2500  1.7500  1.0950
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [11.8712]
_cell_length_b [11.8712]
_cell_length_c [15.0407]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Tb12Tm6Th]
_chemical_formula_sum '[Tb36 Tm18 Th3]'
_cell_volume [1835.6590]
_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  18  0.0143  0.1783  0.1895  1
  Tb  Tb1  18  0.0451  0.1926  0.4149  1
  Tm  Tm2  18  0.0126  0.5861  0.6815  1
  Th  Th3  3  0.0000  0.0000  0.0000  1
]