data_[Tb4Th2Sc3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Th  1.3000  1.8000  1.0800
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.4734]
_cell_length_b [3.4734]
_cell_length_c [25.7097]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Tb4Th2Sc3]
_chemical_formula_sum '[Tb4 Th2 Sc3]'
_cell_volume [268.6260]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.2227  1
  Tb  Tb1  1  0.0000  0.0000  0.4307  1
  Tb  Tb2  1  0.3333  0.6667  0.5468  1
  Tb  Tb3  1  0.3333  0.6667  0.7566  1
  Th  Th4  1  0.0000  0.0000  0.0893  1
  Th  Th5  1  0.0000  0.0000  0.8729  1
  Sc  Sc6  1  0.0000  0.0000  0.6512  1
  Sc  Sc7  1  0.3333  0.6667  0.3259  1
  Sc  Sc8  1  0.3333  0.6667  0.9811  1
]