data_[Tb16Tl2Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Tl  1.6200  1.9000  1.3325
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.7733]
_cell_length_b [13.1772]
_cell_length_c [5.4890]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.2689]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb8TlRu2]
_chemical_formula_sum '[Tb16 Tl2 Ru4]'
_cell_volume [617.6274]
_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  8  0.1981  0.1325  0.0763  1.0
  Tb  Tb1  4  0.0000  0.2486  0.5000  1.0
  Tb  Tb2  4  0.1143  0.5000  0.3004  1.0
  Tl  Tl3  2  0.0000  0.0000  0.5000  1.0
  Ru  Ru4  4  0.0000  0.3116  0.0000  1.0
]