data_[Tb2Al4Cu1Ni3]
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
  Cu  1.9000  1.3500  0.8200
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.0254]
_cell_length_b [4.0254]
_cell_length_c [10.4349]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Tb2Al4CuNi3]
_chemical_formula_sum '[Tb2 Al4 Cu1 Ni3]'
_cell_volume [169.0896]
_cell_formula_units_Z [1]
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  2  0.0000  0.5000  0.7557  1.0
  Al  Al1  2  0.0000  0.5000  0.3694  1.0
  Al  Al2  1  0.0000  0.0000  0.0000  1.0
  Al  Al3  1  0.5000  0.5000  0.0000  1.0
  Cu  Cu4  1  0.5000  0.5000  0.5000  1.0
  Ni  Ni5  2  0.0000  0.5000  0.1362  1.0
  Ni  Ni6  1  0.0000  0.0000  0.5000  1.0
]