data_[Ru2S4]
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 [3.7027]
_cell_length_b [5.1582]
_cell_length_c [18.7182]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [105.2754]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [RuS2]
_chemical_formula_sum '[Ru2 S4]'
_cell_volume [344.8708]
_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  0.4437  0.0708  0.4898  1
  Ru  Ru1  1  0.8077  0.6322  0.5084  1
  S  S2  1  0.1733  0.8976  0.6022  1
  S  S3  1  0.2676  0.5052  0.5718  1
  S  S4  1  0.7269  0.3942  0.4036  1
  S  S5  1  0.9236  0.9965  0.4241  1
]