data_Nb2AsRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.6
_cell_length_b   4.6
_cell_length_c   3.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   104.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2AsRu
_chemical_formula_sum   'Nb2 As1 Ru1'
_cell_volume   65.4
_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
  Nb  Nb1  1  0.4  0.82  0.6  1.0
  Nb  Nb2  1  0.4  0.18  0.6  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  Ru  Ru3  1  0.81  0.0  0.0  1.0

data_Nb2AsRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   4.6
_cell_length_c   4.6
_cell_angle_alpha   104.8
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2AsRu
_chemical_formula_sum   'Nb2 As1 Ru1'
_cell_volume   65.4
_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
  Nb  Nb0  1  0.6  0.4  0.82  1.0
  Nb  Nb1  1  0.6  0.4  0.18  1.0
  As  As2  1  0.0  0.0  0.0  1.0
  Ru  Ru3  1  0.0  0.81  0.0  1.0

Nb Nb As Ru
Nb2RuAs crystallizes in the triclinic P1 space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 6-coordinate geometry to two equivalent Nb(2), two equivalent Ru(1), and two equivalent As(1) atoms. There is one shorter (1.63 Å) and one longer (2.97 Å) Nb(1)-Nb(2) bond length. There is one shorter (2.23 Å) and one longer (2.64 Å) Nb(1)-Ru(1) bond length. There is one shorter (2.56 Å) and one longer (2.92 Å) Nb(1)-As(1) bond length. In the second Nb site, Nb(2) is bonded in a 6-coordinate geometry to two equivalent Nb(1), two equivalent Ru(1), and two equivalent As(1) atoms. There is one shorter (2.56 Å) and one longer (2.92 Å) Nb(2)-Ru(1) bond length. There is one shorter (2.23 Å) and one longer (2.64 Å) Nb(2)-As(1) bond length. Ru(1) is bonded in a 2-coordinate geometry to two equivalent Nb(1), two equivalent Nb(2), and one As(1) atom. The Ru(1)-As(1) bond length is 0.89 Å. As(1) is bonded in a 5-coordinate geometry to two equivalent Nb(1), two equivalent Nb(2), and one Ru(1) atom.