data_[Tb16Rh2Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Rh  2.2800  1.3500  0.7450
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.5285]
_cell_length_b [5.1232]
_cell_length_c [6.8035]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6144]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb8RhAu2]
_chemical_formula_sum '[Tb16 Rh2 Au4]'
_cell_volume [593.8062]
_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  0.0293  0.0000  0.7837  1.0
  Tb  Tb1  4  0.0884  0.5000  0.4400  1.0
  Tb  Tb2  4  0.1595  0.5000  0.9691  1.0
  Tb  Tb3  4  0.2031  0.0000  0.3193  1.0
  Rh  Rh4  2  0.0000  0.5000  0.0000  1.0
  Au  Au5  4  0.1904  0.0000  0.7322  1.0
]