data_[Tb20Al8Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Al  1.6100  1.2500  0.6750
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [14.9983]
_cell_length_b [7.7485]
_cell_length_c [7.7836]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Tb5(AlSe)2]
_chemical_formula_sum '[Tb20 Al8 Se8]'
_cell_volume [904.5635]
_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  16  0.1407  0.1704  0.6630  1
  Tb  Tb1  4  0.0000  0.0000  0.0000  1
  Al  Al2  8  0.0000  0.1224  0.3795  1
  Se  Se3  8  0.1980  0.0000  0.0000  1
]