data_[Tb16Pr6Sc2]
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 [I-42m]
_cell_length_a [8.7493]
_cell_length_b [8.7493]
_cell_length_c [11.3507]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [121]
_chemical_formula_structural [Tb8Pr3Sc]
_chemical_formula_sum '[Tb16 Pr6 Sc2]'
_cell_volume [868.8961]
_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  8  0.1255  0.1255  0.2394  1
  Tb  Tb1  8  0.2336  0.2336  0.9745  1
  Pr  Pr2  4  0.0000  0.5000  0.2500  1
  Pr  Pr3  2  0.0000  0.0000  0.5000  1
  Sc  Sc4  2  0.0000  0.0000  0.0000  1
]