data_[Tl4Ir2Rh4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Ir  2.2000  1.3500  0.7650
  Rh  2.2800  1.3500  0.7450
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.5880]
_cell_length_b [11.4497]
_cell_length_c [7.5272]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.9786]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl2Ir(RhSe3)2]
_chemical_formula_sum '[Tl4 Ir2 Rh4 Se12]'
_cell_volume [543.0292]
_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
[
  Tl  Tl0  4  0.0000  0.1637  0.0000  1.0
  Ir  Ir1  2  0.0000  0.0000  0.5000  1.0
  Rh  Rh2  4  0.0000  0.3306  0.5000  1.0
  Se  Se3  8  0.2229  0.1668  0.6721  1.0
  Se  Se4  4  0.2258  0.5000  0.6738  1.0
]