data_[Tb16Tl4Pd4]
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
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.9374]
_cell_length_b [13.8904]
_cell_length_c [5.9183]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.2923]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tb4TlPd]
_chemical_formula_sum '[Tb16 Tl4 Pd4]'
_cell_volume [674.8433]
_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  8  0.1163  0.1839  0.5749  1.0
  Tb  Tb1  8  0.2190  0.4253  0.8357  1.0
  Tl  Tl2  4  0.0000  0.3779  0.2500  1.0
  Pd  Pd3  4  0.0000  0.0008  0.7500  1.0
]