data_[Tm6Rh2Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Rh  2.2800  1.3500  0.7450
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.4659]
_cell_length_b [4.0494]
_cell_length_c [11.7307]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.6806]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tm3RhBr3]
_chemical_formula_sum '[Tm6 Rh2 Br6]'
_cell_volume [401.9796]
_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
[
  Tm  Tm0  2  0.0995  0.2500  0.8253  1
  Tm  Tm1  2  0.1482  0.2500  0.3620  1
  Tm  Tm2  2  0.2646  0.7500  0.6005  1
  Rh  Rh3  2  0.0525  0.2500  0.5953  1
  Br  Br4  2  0.1317  0.2500  0.0990  1
  Br  Br5  2  0.3384  0.7500  0.8589  1
  Br  Br6  2  0.4331  0.7500  0.3685  1
]