data_[Ru1S2Br6]
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 [P-1]
_cell_length_a [3.9303]
_cell_length_b [8.1715]
_cell_length_c [9.6687]
_cell_angle_alpha [99.6098]
_cell_angle_beta [101.1288]
_cell_angle_gamma [95.0020]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ru(SBr3)2]
_chemical_formula_sum '[Ru1 S2 Br6]'
_cell_volume [298.1093]
_cell_formula_units_Z [1]
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  0.5000  0.5000  0.5000  1.0
  S  S1  2  0.4683  0.3021  0.2998  1.0
  Br  Br2  2  0.0212  0.3529  0.6014  1.0
  Br  Br3  2  0.1613  0.3628  0.0940  1.0
  Br  Br4  2  0.1955  0.0492  0.3050  1.0
]