data_[Tb12Si8Ni24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Si  1.9000  1.1000  0.5400
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Im-3m]
_cell_length_a [8.7741]
_cell_length_b [8.7741]
_cell_length_c [8.7741]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [229]
_chemical_formula_structural [Tb3(SiNi3)2]
_chemical_formula_sum '[Tb12 Si8 Ni24]'
_cell_volume [675.4787]
_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  12  0.0000  0.0000  0.2855  1
  Si  Si1  8  0.2500  0.2500  0.2500  1
  Ni  Ni2  24  0.0000  0.3308  0.3308  1
]