data_[Ru2S6]
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 [Pm]
_cell_length_a [17.1032]
_cell_length_b [5.5553]
_cell_length_c [17.1032]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [RuS3]
_chemical_formula_sum '[Ru2 S6]'
_cell_volume [1407.3323]
_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  0.5047  0.2496  0.5229  1
  S  S1  1  0.3771  0.5000  0.4535  1
  S  S2  1  0.4064  0.0000  0.5311  1
  S  S3  1  0.5034  0.0000  0.3922  1
  S  S4  1  0.5148  0.5000  0.4141  1
  S  S5  1  0.5734  0.5000  0.6420  1
  S  S6  1  0.6154  0.0000  0.5213  1
]