data_[Tb6Al6Au6]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.1871]
_cell_length_b [4.3026]
_cell_length_c [12.3919]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.6421]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TbAlAu]
_chemical_formula_sum '[Tb6 Al6 Au6]'
_cell_volume [383.1726]
_cell_formula_units_Z [6]
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  2  0.0106  0.7500  0.2983  1.0
  Tb  Tb1  2  0.3527  0.2500  0.9186  1.0
  Tb  Tb2  2  0.4949  0.2500  0.6269  1.0
  Al  Al3  2  0.0146  0.7500  0.9115  1.0
  Al  Al4  2  0.1667  0.7500  0.5435  1.0
  Al  Al5  2  0.3414  0.2500  0.2026  1.0
  Au  Au6  2  0.2186  0.2500  0.4286  1.0
  Au  Au7  2  0.2223  0.7500  0.0899  1.0
  Au  Au8  2  0.2801  0.7500  0.7522  1.0
]