data_[Ru2S12Br4]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.2684]
_cell_length_b [13.7830]
_cell_length_c [3.9717]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.4747]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ru(S3Br)2]
_chemical_formula_sum '[Ru2 S12 Br4]'
_cell_volume [451.2417]
_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  0.0000  0.0000  0.0000  1.0
  S  S1  8  0.1106  0.3793  0.1219  1.0
  S  S2  4  0.2224  0.5000  0.8857  1.0
  Br  Br3  4  0.0000  0.1212  0.5000  1.0
]