data_[Tb4Sc8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.7159]
_cell_length_b [4.7659]
_cell_length_c [10.0819]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [TbSc2]
_chemical_formula_sum '[Tb4 Sc8]'
_cell_volume [322.6950]
_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  0.1280  0.2500  0.9137  1.0
  Sc  Sc1  4  0.1215  0.2500  0.2529  1.0
  Sc  Sc2  4  0.1247  0.2500  0.5829  1.0
]