data_[Tb12Hg3Ir3Rh6]
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
  Ir  2.2000  1.3500  0.7650
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.9567]
_cell_length_b [4.9567]
_cell_length_c [24.5857]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Tb4HgIrRh2]
_chemical_formula_sum '[Tb12 Hg3 Ir3 Rh6]'
_cell_volume [523.1155]
_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
[
  Tb  Tb0  6  0.0000  0.0000  0.1296  1
  Tb  Tb1  6  0.0000  0.0000  0.3819  1
  Hg  Hg2  3  0.0000  0.0000  0.0000  1
  Ir  Ir3  3  -0.0000  -0.0000  0.5000  1
  Rh  Rh4  6  0.0000  0.0000  0.2493  1
]