data_[Tl3B3Rh6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  B  2.0400  0.8500  0.4100
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.2452]
_cell_length_b [3.2452]
_cell_length_c [19.6939]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [TlBRh2]
_chemical_formula_sum '[Tl3 B3 Rh6]'
_cell_volume [179.6187]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.4999  1.0
  B  B1  3  0.0000  0.0000  0.3325  1.0
  Rh  Rh2  3  0.0000  0.0000  0.7207  1.0
  Rh  Rh3  3  0.0000  0.0000  0.9464  1.0
]