data_[Tb20Nd8Sc8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Nd  1.1400  1.8500  1.2765
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [16.4993]
_cell_length_b [8.5177]
_cell_length_c [8.1136]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Tb5(NdSc)2]
_chemical_formula_sum '[Tb20 Nd8 Sc8]'
_cell_volume [1140.2448]
_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  16  0.1316  0.1825  0.3203  1
  Tb  Tb1  4  0.0000  0.0000  0.0000  1
  Nd  Nd2  8  0.2141  0.0000  0.0000  1
  Sc  Sc3  8  0.0000  0.1247  0.6246  1
]