data_[Ru4S6]
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 [Pmc2_1]
_cell_length_a [3.3498]
_cell_length_b [18.9940]
_cell_length_c [8.7635]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [Ru2S3]
_chemical_formula_sum '[Ru4 S6]'
_cell_volume [557.5881]
_cell_formula_units_Z [2]
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  2  0.0000  0.0318  0.7285  1
  Ru  Ru1  2  0.5000  0.0235  0.9901  1
  S  S2  2  0.0000  0.1051  0.9330  1
  S  S3  2  0.5000  0.0559  0.2522  1
  S  S4  2  0.5000  0.0904  0.5963  1
]