data_[Tl2Rh9]
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
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [2.8025]
_cell_length_b [2.8025]
_cell_length_c [33.7120]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Tl2Rh9]
_chemical_formula_sum '[Tl2 Rh9]'
_cell_volume [229.2934]
_cell_formula_units_Z [1]
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  2  0.3333  0.6667  0.8324  1
  Rh  Rh1  2  0.0000  0.0000  0.3072  1
  Rh  Rh2  2  0.3333  0.6667  0.2434  1
  Rh  Rh3  2  0.3333  0.6667  0.4357  1
  Rh  Rh4  2  0.3333  0.6667  0.6288  1
  Rh  Rh5  1  0.0000  0.0000  0.5000  1
]