data_[Tb6Pd51]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [9.1507]
_cell_length_b [9.1507]
_cell_length_c [13.5675]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Tb2Pd17]
_chemical_formula_sum '[Tb6 Pd51]'
_cell_volume [983.8800]
_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  0.3272  1.0
  Pd  Pd1  18  0.0000  0.3081  0.0000  1.0
  Pd  Pd2  18  0.0054  0.5027  0.1550  1.0
  Pd  Pd3  9  0.0000  0.5000  0.5000  1.0
  Pd  Pd4  6  0.0000  0.0000  0.1011  1.0
]