data_[Zn6Si6Ru9]
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 [R-3m]
_cell_length_a [4.1021]
_cell_length_b [4.1021]
_cell_length_c [20.8932]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Zn2Si2Ru3]
_chemical_formula_sum '[Zn6 Si6 Ru9]'
_cell_volume [304.4749]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.1326  1
  Si  Si1  6  0.0000  0.0000  0.3776  1
  Ru  Ru2  6  0.0000  0.0000  0.2563  1
  Ru  Ru3  3  0.0000  0.0000  0.0000  1
]