data_[Ba3Tb3Mg6Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Tb  1.1000  1.7500  0.9815
  Mg  1.3100  1.5000  0.8600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.7561]
_cell_length_b [4.7561]
_cell_length_c [30.1821]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [BaTb(MgAu2)2]
_chemical_formula_sum '[Ba3 Tb3 Mg6 Au12]'
_cell_volume [591.2676]
_cell_formula_units_Z [3]
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
[
  Ba  Ba0  3  0.0000  0.0000  0.0000  1.0
  Tb  Tb1  3  -0.0000  -0.0000  0.5000  1.0
  Mg  Mg2  6  0.0000  0.0000  0.2383  1.0
  Au  Au3  6  0.0000  0.0000  0.1187  1.0
  Au  Au4  6  0.0000  0.0000  0.4025  1.0
]