data_[Tb24Tl4Sb12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Tl  1.6200  1.9000  1.3325
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [11.7388]
_cell_length_b [11.5002]
_cell_length_c [8.4423]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Tb6TlSb3]
_chemical_formula_sum '[Tb24 Tl4 Sb12]'
_cell_volume [1139.6974]
_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  8  0.0000  0.1578  0.5016  1.0
  Tb  Tb1  8  0.1605  0.5000  0.0000  1.0
  Tb  Tb2  8  0.2498  0.2476  0.7500  1.0
  Tl  Tl3  4  0.0000  0.3532  0.2500  1.0
  Sb  Sb4  8  0.1445  0.0025  0.2500  1.0
  Sb  Sb5  4  0.0000  0.3604  0.7500  1.0
]