data_[Tl6Rh2I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Rh  2.2800  1.3500  0.7450
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.7055]
_cell_length_b [8.1426]
_cell_length_c [8.5237]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.1352]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl3RhI6]
_chemical_formula_sum '[Tl6 Rh2 I12]'
_cell_volume [822.6593]
_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  0.2331  0.0000  0.7194  1.0
  Tl  Tl1  2  0.0000  0.0000  0.0000  1.0
  Rh  Rh2  2  0.0000  0.5000  0.5000  1.0
  I  I3  8  0.0684  0.2667  0.3503  1.0
  I  I4  4  0.2086  0.5000  0.8057  1.0
]