data_[Tb36Sm18Tl3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Sm  1.1700  1.8500  1.2290
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [11.9302]
_cell_length_b [11.9302]
_cell_length_c [15.0489]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Tb12Sm6Tl]
_chemical_formula_sum '[Tb36 Sm18 Tl3]'
_cell_volume [1854.9537]
_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  0.0005  0.8268  0.1867  1
  Tb  Tb1  18  0.0447  0.8501  0.4160  1
  Sm  Sm2  18  0.0149  0.4248  0.6839  1
  Tl  Tl3  3  0.0000  0.0000  0.0000  1
]