data_[Sb6Ru6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sb  2.0500  1.4500  0.8300
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.3610]
_cell_length_b [3.2714]
_cell_length_c [7.7052]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3495]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [SbRu]
_chemical_formula_sum '[Sb6 Ru6]'
_cell_volume [222.6351]
_cell_formula_units_Z [6]
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
[
  Sb  Sb0  2  0.1112  0.5000  0.2655  1
  Sb  Sb1  2  0.3183  0.5000  0.9861  1
  Sb  Sb2  2  0.4974  0.5000  0.5958  1
  Ru  Ru3  2  0.0910  0.0000  0.9620  1
  Ru  Ru4  2  0.3048  0.0000  0.7051  1
  Ru  Ru5  2  0.3440  0.0000  0.3188  1
]