data_[Tb8Ni2Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ni  1.9100  1.3500  0.7400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.8934]
_cell_length_b [7.0261]
_cell_length_c [6.9001]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.6201]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Tb4NiAu]
_chemical_formula_sum '[Tb8 Ni2 Au2]'
_cell_volume [333.1119]
_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  0.1758  0.1552  0.3706  1
  Tb  Tb1  4  0.3436  0.6657  0.3140  1
  Ni  Ni2  2  0.5000  0.0000  0.5000  1
  Au  Au3  2  0.0000  0.0000  0.0000  1
]