data_[Tb21Sm36Sc3]
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
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [13.3439]
_cell_length_b [13.3439]
_cell_length_c [12.7741]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Tb7Sm12Sc]
_chemical_formula_sum '[Tb21 Sm36 Sc3]'
_cell_volume [1969.8318]
_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  0.0506  0.5253  0.6146  1
  Tb  Tb1  3  0.0000  0.0000  0.5000  1
  Sm  Sm2  18  0.0000  0.2611  0.5000  1
  Sm  Sm3  18  0.0883  0.1766  0.2665  1
  Sc  Sc4  3  0.0000  0.0000  0.0000  1
]