data_[Tb12Sm20Sc4]
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 [11.3463]
_cell_length_b [11.4368]
_cell_length_c [11.3439]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.6943]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb3Sm5Sc]
_chemical_formula_sum '[Tb12 Sm20 Sc4]'
_cell_volume [1326.4933]
_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  0.1223  0.5000  0.1587  1
  Tb  Tb1  4  0.2011  0.0000  0.3408  1
  Tb  Tb2  2  0.0000  0.0000  0.0000  1
  Tb  Tb3  2  0.0000  0.0000  0.5000  1
  Sm  Sm4  8  0.1893  0.2340  0.6473  1
  Sm  Sm5  4  0.0000  0.2541  0.0000  1
  Sm  Sm6  4  0.0348  0.5000  0.3830  1
  Sm  Sm7  4  0.1949  0.5000  0.9088  1
  Sc  Sc8  4  0.0938  0.0000  0.7963  1
]