data_[Si12Ru20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [5.0740]
_cell_length_b [13.0553]
_cell_length_c [6.9884]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.4077]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Si3Ru5]
_chemical_formula_sum '[Si12 Ru20]'
_cell_volume [433.8708]
_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
[
  Si  Si0  4  0.0417  0.3369  0.4980  1.0
  Si  Si1  4  0.4810  0.2501  0.9998  1.0
  Si  Si2  2  0.2195  0.0000  0.8309  1.0
  Si  Si3  2  0.3668  0.5000  0.1713  1.0
  Ru  Ru4  4  0.0816  0.1846  0.7098  1.0
  Ru  Ru5  4  0.1532  0.6037  0.8597  1.0
  Ru  Ru6  4  0.2877  0.1062  0.1321  1.0
  Ru  Ru7  4  0.3647  0.3211  0.2909  1.0
  Ru  Ru8  2  0.2817  0.0000  0.4828  1.0
  Ru  Ru9  2  0.3100  0.5000  0.5342  1.0
]