data_[Tb4Ga8Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ga  1.8100  1.3000  0.7600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.0186]
_cell_length_b [4.5066]
_cell_length_c [6.7651]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.9171]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TbGa2Au3]
_chemical_formula_sum '[Tb4 Ga8 Au12]'
_cell_volume [469.6397]
_cell_formula_units_Z [4]
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  0.1226  0.0000  0.1761  1.0
  Ga  Ga1  4  0.0100  0.5000  0.8077  1.0
  Ga  Ga2  4  0.2273  0.0000  0.6717  1.0
  Au  Au3  4  0.0639  0.0000  0.6983  1.0
  Au  Au4  4  0.1397  0.5000  0.4951  1.0
  Au  Au5  4  0.1893  0.5000  0.9396  1.0
]