data_[Tm12Ru2Rh4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Ru  2.2000  1.3000  0.6610
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.5059]
_cell_length_b [7.1791]
_cell_length_c [11.2366]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.7774]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Tm6RuRh2]
_chemical_formula_sum '[Tm12 Ru2 Rh4]'
_cell_volume [441.2620]
_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  4  0.0803  0.5358  0.7425  1.0
  Tm  Tm1  4  0.2225  0.1687  0.5721  1.0
  Tm  Tm2  4  0.3947  0.6740  0.5715  1.0
  Ru  Ru3  2  0.5000  0.0000  0.5000  1.0
  Rh  Rh4  4  0.3238  0.6355  0.2838  1.0
]