data_[Tm2Al22Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Al  1.6100  1.2500  0.6750
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.1884]
_cell_length_b [12.6290]
_cell_length_c [7.1104]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6569]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TmAl11Ru]
_chemical_formula_sum '[Tm2 Al22 Ru2]'
_cell_volume [438.7580]
_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  0.0000  0.0000  0.0000  1
  Al  Al1  8  0.1083  0.3924  0.2233  1
  Al  Al2  8  0.1870  0.1735  0.3590  1
  Al  Al3  4  0.2500  0.2500  0.0000  1
  Al  Al4  2  0.0000  0.0000  0.5000  1
  Ru  Ru5  2  0.0000  0.5000  0.5000  1
]