data_[Tb12Hg6Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Hg  2.0000  1.5000  1.2450
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.6195]
_cell_length_b [5.0915]
_cell_length_c [11.7518]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.7596]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tb6Hg3Au]
_chemical_formula_sum '[Tb12 Hg6 Au2]'
_cell_volume [541.6841]
_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  2  0.1153  0.7500  0.1470  1
  Tb  Tb1  2  0.1226  0.2500  0.6443  1
  Tb  Tb2  2  0.1287  0.7500  0.8664  1
  Tb  Tb3  2  0.2636  0.7500  0.4850  1
  Tb  Tb4  2  0.3452  0.2500  0.3064  1
  Tb  Tb5  2  0.4797  0.7500  0.1012  1
  Hg  Hg6  2  0.2315  0.2500  0.0229  1
  Hg  Hg7  2  0.3694  0.7500  0.7650  1
  Hg  Hg8  2  0.4631  0.2500  0.6190  1
  Au  Au9  2  0.0819  0.2500  0.3773  1
]