data_[Tb2Pu1Ga3Ni4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Pu  1.2800  1.7500  0.9675
  Ga  1.8100  1.3000  0.7600
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.2150]
_cell_length_b [4.2150]
_cell_length_c [10.0584]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Tb2PuGa3Ni4]
_chemical_formula_sum '[Tb2 Pu1 Ga3 Ni4]'
_cell_volume [178.6961]
_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  0.7757  1
  Pu  Pu1  1  0.5000  0.5000  0.5000  1
  Ga  Ga2  2  0.0000  0.5000  0.1159  1
  Ga  Ga3  1  0.0000  0.0000  0.5000  1
  Ni  Ni4  2  0.0000  0.5000  0.3495  1
  Ni  Ni5  1  0.0000  0.0000  0.0000  1
  Ni  Ni6  1  0.5000  0.5000  0.0000  1
]