data_[Tb16Sb4Ru8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Sb  2.0500  1.4500  0.8300
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [9.2078]
_cell_length_b [13.2990]
_cell_length_c [6.3468]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.8642]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Tb4SbRu2]
_chemical_formula_sum '[Tb16 Sb4 Ru8]'
_cell_volume [693.3196]
_cell_formula_units_Z [4]
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  0.0742  0.0835  0.6806  1.0
  Tb  Tb1  4  0.1372  0.4391  0.0530  1.0
  Tb  Tb2  4  0.2602  0.1781  0.2752  1.0
  Tb  Tb3  4  0.4699  0.1672  0.9270  1.0
  Sb  Sb4  4  0.3721  0.3757  0.6116  1.0
  Ru  Ru5  4  0.2131  0.2885  0.8565  1.0
  Ru  Ru6  4  0.3481  0.0028  0.5961  1.0
]