data_[Tb36Nd3Sm18]
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
  Sm  1.1700  1.8500  1.2290
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [12.0286]
_cell_length_b [12.0286]
_cell_length_c [15.1815]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Tb12NdSm6]
_chemical_formula_sum '[Tb36 Nd3 Sm18]'
_cell_volume [1902.2767]
_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  0.0132  0.1781  0.1914  1
  Tb  Tb1  18  0.0437  0.1906  0.4162  1
  Nd  Nd2  3  0.0000  0.0000  0.0000  1
  Sm  Sm3  18  0.0095  0.5885  0.6805  1
]