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 [6.6575]
_cell_length_b [7.4936]
_cell_length_c [11.8247]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.9431]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Tb6RuAu2]
_chemical_formula_sum '[Tb12 Ru2 Au4]'
_cell_volume [500.5929]
_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  0.1130  0.0260  0.2491  1
  Tb  Tb1  4  0.2237  0.6791  0.0659  1
  Tb  Tb2  4  0.3794  0.1806  0.0573  1
  Ru  Ru3  2  0.5000  0.0000  0.5000  1
  Au  Au4  4  0.3093  0.1138  0.7549  1
]