data_[Tm8Sn20Ru12]
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 [Ibam]
_cell_length_a [10.4137]
_cell_length_b [13.5842]
_cell_length_c [6.0612]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Tm2Sn5Ru3]
_chemical_formula_sum '[Tm8 Sn20 Ru12]'
_cell_volume [857.4300]
_cell_formula_units_Z [4]
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  8  0.2212  0.3384  0.0000  1
  Sn  Sn1  8  0.0000  0.2005  0.2500  1
  Sn  Sn2  8  0.1907  0.0705  0.0000  1
  Sn  Sn3  4  0.0000  0.5000  0.2500  1
  Ru  Ru4  8  0.0857  0.3471  0.5000  1
  Ru  Ru5  4  0.0000  0.0000  0.2500  1
]