data_[Tb3Al2Ga9Au1]
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
  Ga  1.8100  1.3000  0.7600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.6679]
_cell_length_b [5.6679]
_cell_length_c [12.4831]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Tb3Al2Ga9Au]
_chemical_formula_sum '[Tb3 Al2 Ga9 Au1]'
_cell_volume [347.2995]
_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  0.3333  0.6667  0.7863  1
  Tb  Tb1  1  0.0000  0.0000  0.0000  1
  Al  Al2  2  0.3333  0.6667  0.1625  1
  Ga  Ga3  6  0.1668  0.8332  0.3328  1
  Ga  Ga4  3  0.0000  0.5000  0.0000  1
  Au  Au5  1  0.0000  0.0000  0.5000  1
]