data_[Tb18Sc6Te36]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [12.6590]
_cell_length_b [12.6590]
_cell_length_c [15.3384]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Tb3ScTe6]
_chemical_formula_sum '[Tb18 Sc6 Te36]'
_cell_volume [2128.6773]
_cell_formula_units_Z [6]
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  18  0.0575  0.2753  0.6999  1.0
  Sc  Sc1  3  0.0000  0.0000  0.0000  1.0
  Sc  Sc2  3  0.0000  0.0000  0.5000  1.0
  Te  Te3  18  0.0150  0.2015  0.8947  1.0
  Te  Te4  18  0.0347  0.1946  0.3824  1.0
]