data_[Tb18Si3Se36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Si  1.9000  1.1000  0.5400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [12.2748]
_cell_length_b [12.2748]
_cell_length_c [11.6340]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Tb6SiSe12]
_chemical_formula_sum '[Tb18 Si3 Se36]'
_cell_volume [1518.0412]
_cell_formula_units_Z [3]
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  0.0529  0.6089  0.3129  1
  Si  Si1  3  0.0000  0.0000  0.0000  1
  Se  Se2  18  0.0394  0.8228  0.3987  1
  Se  Se3  18  0.0595  0.8647  0.8858  1
]