data_[La3Tb18Nd36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Tb  1.1000  1.7500  0.9815
  Nd  1.1400  1.8500  1.2765
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [13.5766]
_cell_length_b [13.5766]
_cell_length_c [12.6838]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [La(TbNd2)6]
_chemical_formula_sum '[La3 Tb18 Nd36]'
_cell_volume [2024.6964]
_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  0.0415  0.5208  0.6193  1
  La  La1  3  0.0000  0.0000  0.0000  1
  Nd  Nd2  18  0.0000  0.2596  0.5000  1
  Nd  Nd3  18  0.0905  0.1810  0.2633  1
]