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 [P1]
_cell_length_a [5.5895]
_cell_length_b [17.0977]
_cell_length_c [17.0977]
_cell_angle_alpha [120.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [RuS3]
_chemical_formula_sum '[Ru2 S6]'
_cell_volume [1415.0804]
_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  1  0.3282  0.5181  0.0329  1
  Ru  Ru1  1  0.8263  0.5123  0.0218  1
  S  S2  1  0.0625  0.6308  0.0893  1
  S  S3  1  0.1042  0.3912  0.9783  1
  S  S4  1  0.3334  0.4287  0.8690  1
  S  S5  1  0.5712  0.6081  0.0016  1
  S  S6  1  0.5918  0.5155  0.1297  1
  S  S7  1  0.6725  0.3953  0.8774  1
]