data_[Tm16Cd4Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Cd  1.6900  1.5500  1.0900
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.1516]
_cell_length_b [5.2948]
_cell_length_c [6.8824]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.8409]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm8Cd2Ru]
_chemical_formula_sum '[Tm16 Cd4 Ru2]'
_cell_volume [584.1239]
_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  0.0196  0.0000  0.7858  1.0
  Tm  Tm1  4  0.0945  0.5000  0.4157  1.0
  Tm  Tm2  4  0.1513  0.5000  0.9458  1.0
  Tm  Tm3  4  0.1946  0.0000  0.2770  1.0
  Cd  Cd4  4  0.1822  0.0000  0.6987  1.0
  Ru  Ru5  2  0.0000  0.5000  0.0000  1.0
]