data_[Tb16Pr4Sc2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Pr  1.1300  1.8500  1.0600
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.1648]
_cell_length_b [5.0368]
_cell_length_c [7.9765]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.3695]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb8Pr2Sc]
_chemical_formula_sum '[Tb16 Pr4 Sc2]'
_cell_volume [703.6920]
_cell_formula_units_Z [2]
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  0.0440  0.0000  0.7299  1
  Tb  Tb1  4  0.0886  0.5000  0.4478  1
  Tb  Tb2  4  0.1330  0.0000  0.1744  1
  Tb  Tb3  4  0.1795  0.5000  0.9087  1
  Pr  Pr4  4  0.2260  0.0000  0.6374  1
  Sc  Sc5  2  0.0000  0.5000  0.0000  1
]