data_[Tb12Sm16Sc8]
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 [Cccm]
_cell_length_a [9.5537]
_cell_length_b [16.6994]
_cell_length_c [6.9464]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [66]
_chemical_formula_structural [Tb3(Sm2Sc)2]
_chemical_formula_sum '[Tb12 Sm16 Sc8]'
_cell_volume [1108.2355]
_cell_formula_units_Z [4]
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  8  0.0000  0.1734  0.2500  1.0
  Tb  Tb1  4  0.0000  0.5000  0.2500  1.0
  Sm  Sm2  8  0.1659  0.0106  0.0000  1.0
  Sm  Sm3  8  0.1693  0.3380  0.5000  1.0
  Sc  Sc4  8  0.1642  0.6716  0.5000  1.0
]