data_[Tb12Tl3Pd3Ru6]
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
  Pd  2.2000  1.4000  0.8462
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.0033]
_cell_length_b [5.0033]
_cell_length_c [24.7151]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Tb4TlPdRu2]
_chemical_formula_sum '[Tb12 Tl3 Pd3 Ru6]'
_cell_volume [535.8147]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.1293  1.0
  Tb  Tb1  6  0.0000  0.0000  0.3811  1.0
  Tl  Tl2  3  0.0000  0.0000  0.0000  1.0
  Ru  Ru3  6  0.0000  0.0000  0.2498  1.0
  Pd  Pd4  3  -0.0000  -0.0000  0.5000  1.0
]