data_[Ru6S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ru  2.2000  1.3000  0.6610
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.4047]
_cell_length_b [10.8673]
_cell_length_c [5.4591]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [RuS]
_chemical_formula_sum '[Ru6 S6]'
_cell_volume [201.9858]
_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
[
  Ru  Ru0  4  0.0000  0.2048  0.6074  1
  Ru  Ru1  2  0.5000  0.0000  0.4853  1
  S  S2  4  0.5000  0.1789  0.2680  1
  S  S3  2  0.0000  0.0000  0.7618  1
]