data_[Tb6Al18Ni4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Al  1.6100  1.2500  0.6750
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.2368]
_cell_length_b [9.9215]
_cell_length_c [12.1581]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Tb3Al9Ni2]
_chemical_formula_sum '[Tb6 Al18 Ni4]'
_cell_volume [511.0658]
_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  0.0000  0.0000  0.3120  1.0
  Tb  Tb1  2  0.0000  0.0000  0.0000  1.0
  Al  Al2  8  0.0000  0.2814  0.1216  1.0
  Al  Al3  8  0.0000  0.3654  0.3435  1.0
  Al  Al4  2  0.0000  0.5000  0.0000  1.0
  Ni  Ni5  4  0.0000  0.2080  0.5000  1.0
]