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 [P2_1/m]
_cell_length_a [3.8962]
_cell_length_b [5.4637]
_cell_length_c [8.2509]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5172]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TlBRh3]
_chemical_formula_sum '[Tl2 B2 Rh6]'
_cell_volume [170.7771]
_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  0.1813  0.7500  0.3692  1
  B  B1  2  0.3357  0.7500  0.6598  1
  Rh  Rh2  4  0.4176  0.0018  0.8327  1
  Rh  Rh3  2  0.0020  0.7500  0.0041  1
]