data_[Tb12Sm8Sc4]
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 [C2/m]
_cell_length_a [17.5898]
_cell_length_b [3.4540]
_cell_length_c [14.1002]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.9973]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb3Sm2Sc]
_chemical_formula_sum '[Tb12 Sm8 Sc4]'
_cell_volume [763.3129]
_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  4  0.0361  0.0000  0.2168  1
  Tb  Tb1  4  0.0990  0.5000  0.0275  1
  Tb  Tb2  4  0.2407  0.5000  0.2931  1
  Sm  Sm3  4  0.1544  0.5000  0.4704  1
  Sm  Sm4  4  0.1792  0.0000  0.8787  1
  Sc  Sc5  4  0.0637  0.5000  0.6415  1
]