data_[Tl6Hg2Rh2]
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 [P1]
_cell_length_a [5.3976]
_cell_length_b [6.8711]
_cell_length_c [8.1834]
_cell_angle_alpha [89.5288]
_cell_angle_beta [88.8999]
_cell_angle_gamma [72.5380]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Tl3HgRh]
_chemical_formula_sum '[Tl6 Hg2 Rh2]'
_cell_volume [289.4606]
_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  1  0.3694  0.3661  0.9542  1.0
  Tl  Tl1  1  0.3792  0.8674  0.9687  1.0
  Tl  Tl2  1  0.4599  0.0285  0.4418  1.0
  Tl  Tl3  1  0.8930  0.2429  0.2067  1.0
  Tl  Tl4  1  0.8944  0.2424  0.6878  1.0
  Tl  Tl5  1  0.9185  0.7387  0.7090  1.0
  Hg  Hg6  1  0.3652  0.5407  0.4256  1.0
  Hg  Hg7  1  0.9032  0.7416  0.1874  1.0
  Rh  Rh8  1  0.8202  0.4981  0.9446  1.0
  Rh  Rh9  1  0.9890  0.9602  0.4497  1.0
]