data_[Tb16Ru2Au4]
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 [C2/m]
_cell_length_a [17.4302]
_cell_length_b [5.1521]
_cell_length_c [6.8433]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.0272]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb8RuAu2]
_chemical_formula_sum '[Tb16 Ru2 Au4]'
_cell_volume [590.6572]
_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  0.0287  0.0000  0.7913  1.0
  Tb  Tb1  4  0.0890  0.5000  0.4361  1.0
  Tb  Tb2  4  0.1603  0.5000  0.9678  1.0
  Tb  Tb3  4  0.2004  0.0000  0.3107  1.0
  Ru  Ru4  2  0.0000  0.5000  0.0000  1.0
  Au  Au5  4  0.1865  0.0000  0.7197  1.0
]