data_[Tb36Pr18Y3]
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
  Y  1.2200  1.8000  1.0400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [11.1974]
_cell_length_b [11.1974]
_cell_length_c [17.7478]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Tb12Pr6Y]
_chemical_formula_sum '[Tb36 Pr18 Y3]'
_cell_volume [1927.1297]
_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  0.0997  0.5499  0.4129  1
  Tb  Tb1  18  0.1057  0.2115  0.4078  1
  Pr  Pr2  18  0.0685  0.5342  0.7675  1
  Y  Y3  3  0.0000  0.0000  0.0000  1
]