data_[Tm16Pd2Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Pd  2.2000  1.4000  0.8462
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.3630]
_cell_length_b [12.4157]
_cell_length_c [5.6989]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.5986]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Tm8PdRu2]
_chemical_formula_sum '[Tm16 Pd2 Ru4]'
_cell_volume [564.0416]
_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  0.2006  0.1306  0.6067  1
  Tm  Tm1  4  0.2904  0.3689  0.4179  1
  Tm  Tm2  4  0.4977  0.2769  0.0103  1
  Tm  Tm3  2  0.1299  0.5000  0.8216  1
  Tm  Tm4  2  0.3693  0.0000  0.2020  1
  Ru  Ru5  4  0.4950  0.1887  0.5102  1
  Pd  Pd6  2  0.4996  0.5000  0.8865  1
]