data_[Tb20Al8]
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
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.7537]
_cell_length_b [5.5060]
_cell_length_c [8.9242]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.0625]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tb5Al2]
_chemical_formula_sum '[Tb20 Al8]'
_cell_volume [764.4167]
_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  0.1208  0.2151  0.4521  1.0
  Tb  Tb1  8  0.2268  0.3318  0.8240  1.0
  Tb  Tb2  4  0.0000  0.2401  0.7500  1.0
  Al  Al3  8  0.0814  0.2875  0.1020  1.0
]