data_[Ru1S6Cl2]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.2934]
_cell_length_b [7.1049]
_cell_length_c [7.4868]
_cell_angle_alpha [69.7157]
_cell_angle_beta [80.6758]
_cell_angle_gamma [82.2056]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ru(S3Cl)2]
_chemical_formula_sum '[Ru1 S6 Cl2]'
_cell_volume [259.6572]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1
  S  S1  2  0.0544  0.7627  0.8300  1
  S  S2  2  0.1579  0.8954  0.5284  1
  S  S3  2  0.3498  0.7598  0.9738  1
  Cl  Cl4  2  0.2348  0.2437  0.7605  1
]