data_RuSe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.91
_cell_length_b   7.13
_cell_length_c   5.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RuSe3
_chemical_formula_sum   'Ru2 Se6'
_cell_volume   187.36
_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  1  0.46  0.0  0.86  1.0
  Ru  Ru1  1  0.0  0.57  0.49  1.0
  Se  Se2  1  0.0  0.0  0.17  1.0
  Se  Se3  1  0.46  0.57  0.18  1.0
  Se  Se4  1  0.46  0.88  0.38  1.0
  Se  Se5  1  0.46  0.26  0.38  1.0
  Se  Se6  1  0.0  0.44  0.97  1.0
  Se  Se7  1  0.0  0.69  0.97  1.0

data_RuSe3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.91
_cell_length_b   5.35
_cell_length_c   7.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RuSe3
_chemical_formula_sum   'Ru2 Se6'
_cell_volume   187.36
_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  1  0.0  0.51  0.43  1.0
  Ru  Ru1  1  0.54  0.14  0.0  1.0
  Se  Se2  1  0.0  0.03  0.31  1.0
  Se  Se3  1  0.0  0.03  0.56  1.0
  Se  Se4  1  0.0  0.83  0.0  1.0
  Se  Se5  1  0.54  0.62  0.12  1.0
  Se  Se6  1  0.54  0.62  0.74  1.0
  Se  Se7  1  0.54  0.82  0.43  1.0

Ru Ru Se Se Se Se Se Se
RuSe3 is Magnesium tetraboride-like structured and crystallizes in the triclinic P1 space group. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a 7-coordinate geometry to one Se(6), two equivalent Se(1), two equivalent Se(3), and two equivalent Se(4) atoms. The Ru(1)-Se(6) bond length is 3.20 Å. There is one shorter (2.77 Å) and one longer (3.13 Å) Ru(1)-Se(1) bond length. There is one shorter (2.70 Å) and one longer (2.92 Å) Ru(1)-Se(3) bond length. There is one shorter (3.14 Å) and one longer (3.33 Å) Ru(1)-Se(4) bond length. In the second Ru site, Ru(2) is bonded to one Se(3), one Se(4), two equivalent Se(2), two equivalent Se(5), and two equivalent Se(6) atoms to form a mixture of distorted corner and edge-sharing RuSe8 hexagonal bipyramids. The Ru(2)-Se(3) bond length is 3.20 Å. The Ru(2)-Se(4) bond length is 3.20 Å. There is one shorter (2.77 Å) and one longer (3.13 Å) Ru(2)-Se(2) bond length. There is one shorter (2.70 Å) and one longer (2.92 Å) Ru(2)-Se(5) bond length. There is one shorter (2.70 Å) and one longer (2.92 Å) Ru(2)-Se(6) bond length. There are six inequivalent Se sites. In the first Se site, Se(1) is bonded in a 4-coordinate geometry to two equivalent Ru(1), one Se(6), and two equivalent Se(3) atoms. The Se(1)-Se(6) bond length is 2.46 Å. There is one shorter (2.67 Å) and one longer (3.04 Å) Se(1)-Se(3) bond length. In the second Se site, Se(2) is bonded in a 8-coordinate geometry to two equivalent Ru(2), one Se(3), one Se(4), two equivalent Se(5), and two equivalent Se(6) atoms. The Se(2)-Se(3) bond length is 2.46 Å. The Se(2)-Se(4) bond length is 2.46 Å. There is one shorter (2.67 Å) and one longer (3.04 Å) Se(2)-Se(5) bond length. There is one shorter (2.67 Å) and one longer (3.04 Å) Se(2)-Se(6) bond length. In the third Se site, Se(3) is bonded in a 7-coordinate geometry to one Ru(2), two equivalent Ru(1), one Se(2), one Se(4), and two equivalent Se(1) atoms. The Se(3)-Se(4) bond length is 2.69 Å. In the fourth Se site, Se(4) is bonded in a 4-coordinate geometry to one Ru(2), two equivalent Ru(1), one Se(2), and one Se(3) atom. In the fifth Se site, Se(5) is bonded in a 5-coordinate geometry to two equivalent Ru(2), one Se(6), and two equivalent Se(2) atoms. The Se(5)-Se(6) bond length is 1.74 Å. In the sixth Se site, Se(6) is bonded in a 1-coordinate geometry to one Ru(1), two equivalent Ru(2), one Se(1), one Se(5), and two equivalent Se(2) atoms.