data_[Tb24Hg4Ir8]
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
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [9.3856]
_cell_length_b [9.6426]
_cell_length_c [10.4455]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Tb6HgIr2]
_chemical_formula_sum '[Tb24 Hg4 Ir8]'
_cell_volume [945.3321]
_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  8  0.0000  0.2011  0.2392  1
  Tb  Tb1  8  0.1914  0.5000  0.1692  1
  Tb  Tb2  8  0.2163  0.3197  0.5000  1
  Hg  Hg3  2  0.0000  0.0000  0.0000  1
  Hg  Hg4  2  0.0000  0.0000  0.5000  1
  Ir  Ir5  4  0.0000  0.3342  0.0000  1
  Ir  Ir6  4  0.0000  0.5000  0.3699  1
]