data_[Tb12Sb2Ir4Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Sb  2.0500  1.4500  0.8300
  Ir  2.2000  1.3500  0.7650
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.3171]
_cell_length_b [4.0856]
_cell_length_c [8.5658]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.2293]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb6SbIr2Se3]
_chemical_formula_sum '[Tb12 Sb2 Ir4 Se6]'
_cell_volume [618.5212]
_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  4  0.0117  0.0000  0.2631  1.0
  Tb  Tb1  4  0.1735  0.5000  0.1150  1.0
  Tb  Tb2  4  0.1737  0.5000  0.5736  1.0
  Sb  Sb3  2  0.0000  0.5000  0.0000  1.0
  Ir  Ir4  4  0.1692  0.0000  0.3398  1.0
  Se  Se5  4  0.1608  0.0000  0.8392  1.0
  Se  Se6  2  0.0000  0.5000  0.5000  1.0
]