data_[Tb16Hg2Ir4]
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 [C2/m]
_cell_length_a [8.6791]
_cell_length_b [13.2141]
_cell_length_c [5.5264]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.7338]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb8HgIr2]
_chemical_formula_sum '[Tb16 Hg2 Ir4]'
_cell_volume [615.6813]
_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  8  0.2002  0.1329  0.0800  1
  Tb  Tb1  4  0.0000  0.2483  0.5000  1
  Tb  Tb2  4  0.1178  0.5000  0.3037  1
  Hg  Hg3  2  0.0000  0.0000  0.5000  1
  Ir  Ir4  4  0.0000  0.3055  0.0000  1
]