data_[Tb16Al4Sb2]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.4360]
_cell_length_b [5.0002]
_cell_length_c [6.8188]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.7061]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb8Al2Sb]
_chemical_formula_sum '[Tb16 Al4 Sb2]'
_cell_volume [643.8133]
_cell_formula_units_Z [2]
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  4  0.0305  0.0000  0.7625  1.0
  Tb  Tb1  4  0.0957  0.5000  0.4633  1.0
  Tb  Tb2  4  0.1596  0.5000  0.9773  1.0
  Tb  Tb3  4  0.2145  0.0000  0.3108  1.0
  Al  Al4  4  0.1872  0.0000  0.7495  1.0
  Sb  Sb5  2  0.0000  0.5000  0.0000  1.0
]