data_[Tb6Nd12Th3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Nd  1.1400  1.8500  1.2765
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.6429]
_cell_length_b [3.6429]
_cell_length_c [62.1275]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Tb2Nd4Th]
_chemical_formula_sum '[Tb6 Nd12 Th3]'
_cell_volume [714.0290]
_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  3  0.0000  0.0000  0.0565  1
  Tb  Tb1  3  0.0000  0.0000  0.1509  1
  Nd  Nd2  3  0.0000  0.0000  0.2473  1
  Nd  Nd3  3  0.0000  0.0000  0.3424  1
  Nd  Nd4  3  0.0000  0.0000  0.7703  1
  Nd  Nd5  3  0.0000  0.0000  0.8642  1
  Th  Th6  3  0.0000  0.0000  0.9613  1
]