data_[Tl2B2Rh6]
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 [Pmma]
_cell_length_a [5.0795]
_cell_length_b [5.7920]
_cell_length_c [4.9884]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [TlBRh3]
_chemical_formula_sum '[Tl2 B2 Rh6]'
_cell_volume [146.7607]
_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  2  0.2500  0.0000  0.7081  1.0
  B  B1  2  0.0000  0.5000  0.0000  1.0
  Rh  Rh2  4  0.2500  0.2583  0.1961  1.0
  Rh  Rh3  2  0.2500  0.5000  0.6712  1.0
]