data_[Tb36Nd18Sm3]
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-3m]
_cell_length_a [11.1712]
_cell_length_b [11.1712]
_cell_length_c [17.6343]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Tb12Nd6Sm]
_chemical_formula_sum '[Tb36 Nd18 Sm3]'
_cell_volume [1905.8615]
_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  0.1016  0.5508  0.4139  1
  Tb  Tb1  18  0.1062  0.2124  0.4092  1
  Nd  Nd2  18  0.0704  0.5352  0.7658  1
  Sm  Sm3  3  0.0000  0.0000  0.0000  1
]