data_[Zn8Si8Ru8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Si  1.9000  1.1000  0.5400
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Fdd2]
_cell_length_a [4.6523]
_cell_length_b [8.5986]
_cell_length_c [7.9954]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [43]
_chemical_formula_structural [ZnSiRu]
_chemical_formula_sum '[Zn8 Si8 Ru8]'
_cell_volume [319.8380]
_cell_formula_units_Z [8]
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
[
  Zn  Zn0  8  0.0000  0.0000  0.7267  1
  Si  Si1  8  0.0000  0.0000  0.0617  1
  Ru  Ru2  8  0.0000  0.0000  0.3866  1
]