data_BRuSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.44
_cell_length_b   4.44
_cell_length_c   3.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BRuSe2
_chemical_formula_sum   'B1 Ru1 Se2'
_cell_volume   60.36
_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
  B  B0  1  0.0  0.0  0.0  1.0
  Ru  Ru1  1  0.63  0.0  0.0  1.0
  Se  Se2  1  0.31  0.21  0.6  1.0
  Se  Se3  1  0.31  0.79  0.6  1.0

data_BRuSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   4.44
_cell_length_c   4.44
_cell_angle_alpha   107.48
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BRuSe2
_chemical_formula_sum   'B1 Ru1 Se2'
_cell_volume   60.36
_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
  B  B0  1  0.0  0.0  0.0  1.0
  Ru  Ru1  1  0.0  0.63  0.0  1.0
  Se  Se2  1  0.6  0.31  0.21  1.0
  Se  Se3  1  0.6  0.31  0.79  1.0

B Ru Se Se
RuBSe2 crystallizes in the triclinic P1 space group. Ru(1) is bonded in a 2-coordinate geometry to one B(1), two equivalent Se(1), and two equivalent Se(2) atoms. The Ru(1)-B(1) bond length is 1.66 Å. There is one shorter (2.28 Å) and one longer (2.71 Å) Ru(1)-Se(1) bond length. There is one shorter (1.91 Å) and one longer (2.40 Å) Ru(1)-Se(2) bond length. B(1) is bonded in a 4-coordinate geometry to one Ru(1), two equivalent Se(1), and two equivalent Se(2) atoms. There is one shorter (1.91 Å) and one longer (2.40 Å) B(1)-Se(1) bond length. There is one shorter (2.28 Å) and one longer (2.71 Å) B(1)-Se(2) bond length. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a 6-coordinate geometry to two equivalent Ru(1), two equivalent B(1), and two equivalent Se(2) atoms. There is one shorter (1.86 Å) and one longer (2.58 Å) Se(1)-Se(2) bond length. In the second Se site, Se(2) is bonded in a 6-coordinate geometry to two equivalent Ru(1), two equivalent B(1), and two equivalent Se(1) atoms.