data_[Tb12Ru2Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ru  2.2000  1.3000  0.6610
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.6391]
_cell_length_b [7.4825]
_cell_length_c [11.8083]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.6656]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Tb6RuAu2]
_chemical_formula_sum '[Tb12 Ru2 Au4]'
_cell_volume [499.2649]
_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  0.1136  0.5263  0.7503  1.0
  Tb  Tb1  4  0.2237  0.1785  0.5654  1.0
  Tb  Tb2  4  0.3802  0.6800  0.5573  1.0
  Ru  Ru3  2  0.5000  0.0000  0.5000  1.0
  Au  Au4  4  0.3097  0.6134  0.2545  1.0
]