data_[Tl24Hg8Rh8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Hg  2.0000  1.5000  1.2450
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.3362]
_cell_length_b [13.1476]
_cell_length_c [5.9354]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.8431]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tl3HgRh]
_chemical_formula_sum '[Tl24 Hg8 Rh8]'
_cell_volume [1040.1777]
_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  8  0.0895  0.0874  0.0069  1.0
  Tl  Tl1  8  0.1631  0.3511  0.0084  1.0
  Tl  Tl2  8  0.1640  0.1636  0.5099  1.0
  Hg  Hg3  8  0.0906  0.4205  0.5059  1.0
  Rh  Rh4  4  0.0000  0.2529  0.7500  1.0
  Rh  Rh5  4  0.0000  0.2538  0.2500  1.0
]