data_[Tb18Pr36Sm3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Pr  1.1300  1.8500  1.0600
  Sm  1.1700  1.8500  1.2290
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [12.2700]
_cell_length_b [12.2700]
_cell_length_c [15.4701]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Tb6Pr12Sm]
_chemical_formula_sum '[Tb18 Pr36 Sm3]'
_cell_volume [2017.0214]
_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  0.0157  0.5879  0.6866  1
  Pr  Pr1  18  0.0029  0.1740  0.1917  1
  Pr  Pr2  18  0.0474  0.1981  0.4165  1
  Sm  Sm3  3  0.0000  0.0000  0.0000  1
]