data_[H4Ru4S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  H  2.2000  0.2500  0.0000
  Ru  2.2000  1.3000  0.6610
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [4.4268]
_cell_length_b [5.5476]
_cell_length_c [6.2844]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.5646]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [HRuS]
_chemical_formula_sum '[H4 Ru4 S4]'
_cell_volume [139.2213]
_cell_formula_units_Z [4]
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  4  0.1065  0.2273  0.6316  1
  H  H1  4  0.1427  0.0838  0.3919  1
  S  S2  4  0.3827  0.5683  0.6080  1
]