data_[Tb6Hg3Ir3]
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 [R3m]
_cell_length_a [4.1091]
_cell_length_b [4.1091]
_cell_length_c [22.1556]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Tb2HgIr]
_chemical_formula_sum '[Tb6 Hg3 Ir3]'
_cell_volume [323.9658]
_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  3  0.0000  0.0000  0.0660  1.0
  Tb  Tb1  3  0.0000  0.0000  0.2674  1.0
  Hg  Hg2  3  0.0000  0.0000  0.5011  1.0
  Ir  Ir3  3  0.0000  0.0000  0.6655  1.0
]