data_[Tm16Sn4Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Sn  1.9600  1.4500  0.8300
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.0415]
_cell_length_b [4.9604]
_cell_length_c [6.5337]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.9468]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm8Sn2Ru]
_chemical_formula_sum '[Tm16 Sn4 Ru2]'
_cell_volume [593.3850]
_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  0.0209  0.0000  0.7871  1.0
  Tm  Tm1  4  0.0881  0.5000  0.4557  1.0
  Tm  Tm2  4  0.1439  0.5000  0.9985  1.0
  Tm  Tm3  4  0.2182  0.0000  0.3192  1.0
  Sn  Sn4  4  0.1817  0.0000  0.7567  1.0
  Ru  Ru5  2  0.0000  0.5000  0.0000  1.0
]