data_[Tl8Rh8Cl24]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [6.9292]
_cell_length_b [12.9505]
_cell_length_c [11.9051]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [TlRhCl3]
_chemical_formula_sum '[Tl8 Rh8 Cl24]'
_cell_volume [1068.3242]
_cell_formula_units_Z [8]
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  0.1323  0.8749  1.0
  Tl  Tl1  4  0.0000  0.4744  0.1271  1.0
  Rh  Rh2  4  0.0000  0.1708  0.2503  1.0
  Rh  Rh3  4  0.0000  0.3308  0.7495  1.0
  Cl  Cl4  8  0.2478  0.6114  0.3690  1.0
  Cl  Cl5  8  0.2489  0.7288  0.1316  1.0
  Cl  Cl6  4  0.0000  0.0085  0.1557  1.0
  Cl  Cl7  4  0.0000  0.3351  0.3414  1.0
]