data_[Tb12Ho4Au12]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.7415]
_cell_length_b [10.5278]
_cell_length_c [7.1617]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.8179]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb3HoAu3]
_chemical_formula_sum '[Tb12 Ho4 Au12]'
_cell_volume [734.4022]
_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  4  0.0000  0.1894  0.5000  1
  Tb  Tb1  4  0.0000  0.2585  0.0000  1
  Tb  Tb2  4  0.1780  0.5000  0.4262  1
  Ho  Ho3  4  0.2430  0.5000  0.9253  1
  Au  Au4  8  0.2402  0.2654  0.7242  1
  Au  Au5  4  0.0463  0.0000  0.7977  1
]