data_[Si6Sb6Ru9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  Sb  2.0500  1.4500  0.8300
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.3142]
_cell_length_b [4.3142]
_cell_length_c [21.7649]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Si2Sb2Ru3]
_chemical_formula_sum '[Si6 Sb6 Ru9]'
_cell_volume [350.8242]
_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
[
  Si  Si0  3  0.0000  0.0000  0.2482  1
  Si  Si1  3  0.0000  0.0000  0.7527  1
  Sb  Sb2  3  0.0000  0.0000  0.0058  1
  Sb  Sb3  3  0.0000  0.0000  0.4947  1
  Ru  Ru4  3  0.0000  0.0000  0.3724  1
  Ru  Ru5  3  0.0000  0.0000  0.6233  1
  Ru  Ru6  3  0.0000  0.0000  0.8778  1
]