data_Na2RuBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.1
_cell_length_b   3.1
_cell_length_c   9.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2RuBr
_chemical_formula_sum   'Na2 Ru1 Br1'
_cell_volume   82.97
_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
  Na  Na1  1  0.79  0.0  0.18  1.0
  Na  Na2  1  0.79  0.0  0.99  1.0
  Ru  Ru3  1  0.0  0.0  0.58  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_Na2RuBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   3.1
_cell_length_c   9.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2RuBr
_chemical_formula_sum   'Na2 Ru1 Br1'
_cell_volume   82.97
_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
  Na  Na0  1  0.79  0.0  0.18  1.0
  Na  Na1  1  0.79  0.0  0.99  1.0
  Ru  Ru2  1  0.0  0.0  0.58  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

Na Na Ru Br
Na2RuBr crystallizes in the triclinic P1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a single-bond geometry to one Ru(1) and one Br(1) atom. The Na(1)-Ru(1) bond length is 3.77 Å. The Na(1)-Br(1) bond length is 1.74 Å. In the second Na site, Na(2) is bonded in a single-bond geometry to one Ru(1) and one Br(1) atom. The Na(2)-Ru(1) bond length is 3.77 Å. The Na(2)-Br(1) bond length is 0.64 Å. Ru(1) is bonded in a 6-coordinate geometry to one Na(1), one Na(2), and four equivalent Ru(1) atoms. All Ru(1)-Ru(1) bond lengths are 3.10 Å. Br(1) is bonded in a single-bond geometry to one Na(1) and one Na(2) atom.