data_[Tb16Cu2Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Cu  1.9000  1.3500  0.8200
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.6541]
_cell_length_b [5.0837]
_cell_length_c [6.7649]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.9780]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb8CuPd2]
_chemical_formula_sum '[Tb16 Cu2 Pd4]'
_cell_volume [583.6816]
_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  4  0.0314  0.0000  0.7832  1.0
  Tb  Tb1  4  0.0911  0.5000  0.4579  1.0
  Tb  Tb2  4  0.1681  0.5000  0.9835  1.0
  Tb  Tb3  4  0.2020  0.0000  0.3288  1.0
  Cu  Cu4  2  0.0000  0.5000  0.0000  1.0
  Pd  Pd5  4  0.1832  0.0000  0.7319  1.0
]