data_[Ru2Se4S2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ru  2.2000  1.3000  0.6610
  Se  2.5500  1.1500  1.0133
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.6168]
_cell_length_b [5.8096]
_cell_length_c [10.0543]
_cell_angle_alpha [75.6915]
_cell_angle_beta [83.5822]
_cell_angle_gamma [89.8801]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [RuSe2S]
_chemical_formula_sum '[Ru2 Se4 S2]'
_cell_volume [203.3569]
_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  0.2503  0.8031  0.9980  1
  Se  Se1  2  0.1972  0.0225  0.1714  1
  Se  Se2  2  0.2894  0.4640  0.8730  1
  S  S3  2  0.2286  0.4135  0.4839  1
]