data_[Tb12Ni4Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ni  1.9100  1.3500  0.7400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.4366]
_cell_length_b [3.9085]
_cell_length_c [7.9175]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.9293]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb3NiPd]
_chemical_formula_sum '[Tb12 Ni4 Pd4]'
_cell_volume [477.0675]
_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  0.0564  0.5000  0.8115  1.0
  Tb  Tb1  4  0.1047  0.0000  0.4462  1.0
  Tb  Tb2  4  0.2348  0.5000  0.1917  1.0
  Ni  Ni3  4  0.2131  0.5000  0.5702  1.0
  Pd  Pd4  4  0.0933  0.0000  0.0726  1.0
]