data_[Tb8Cu20Ni16]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [4.9673]
_cell_length_b [8.4446]
_cell_length_c [15.9315]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Tb2Cu5Ni4]
_chemical_formula_sum '[Tb8 Cu20 Ni16]'
_cell_volume [668.2765]
_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  0.0000  0.0000  0.1348  1.0
  Cu  Cu1  8  0.2500  0.2500  0.0000  1.0
  Cu  Cu2  8  0.2500  0.2500  0.2500  1.0
  Cu  Cu3  4  0.0000  0.0000  0.5000  1.0
  Ni  Ni4  16  0.0000  0.1608  0.3725  1.0
]