data_[Tb8Ru2Au2]
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 [7.1130]
_cell_length_b [6.9288]
_cell_length_c [6.9306]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.2453]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Tb4RuAu]
_chemical_formula_sum '[Tb8 Ru2 Au2]'
_cell_volume [341.0210]
_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  0.1818  0.6607  0.8520  1
  Tb  Tb1  4  0.3452  0.1640  0.8167  1
  Ru  Ru2  2  0.5000  0.0000  0.5000  1
  Au  Au3  2  0.0000  0.0000  0.0000  1
]