data_[Tb12Ho12Al8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ho  1.2300  1.7500  1.0410
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.1373]
_cell_length_b [11.6200]
_cell_length_c [15.0649]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Tb3Ho3Al2]
_chemical_formula_sum '[Tb12 Ho12 Al8]'
_cell_volume [899.3085]
_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  0.3509  0.5268  1
  Tb  Tb1  4  0.0000  0.4578  0.2500  1
  Ho  Ho2  8  0.0000  0.0373  0.6060  1
  Ho  Ho3  4  0.0000  0.2581  0.7500  1
  Al  Al4  8  0.0000  0.2186  0.1512  1
]