data_[Tb36Er18Th3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Er  1.2400  1.7500  1.0300
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [11.8959]
_cell_length_b [11.8959]
_cell_length_c [15.0558]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Tb12Er6Th]
_chemical_formula_sum '[Tb36 Er18 Th3]'
_cell_volume [1845.1311]
_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  0.0148  0.1782  0.1895  1
  Tb  Tb1  18  0.0447  0.1921  0.4150  1
  Er  Er2  18  0.0125  0.5866  0.6813  1
  Th  Th3  3  0.0000  0.0000  0.0000  1
]