data_NbInRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.72
_cell_length_b   4.72
_cell_length_c   5.13
_cell_angle_alpha   104.34
_cell_angle_beta   104.34
_cell_angle_gamma   37.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbInRu2
_chemical_formula_sum   'Nb1 In1 Ru2'
_cell_volume   67.75
_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  0.0  0.0  0.0  1.0
  In  In0  1  0.79  0.0  0.47  1.0
  Ru  Ru2  1  0.3  0.0  0.83  1.0
  Ru  Ru3  1  0.28  0.0  0.12  1.0

data_NbInRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   4.72
_cell_length_c   5.13
_cell_angle_alpha   104.34
_cell_angle_beta   90.0
_cell_angle_gamma   108.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbInRu2
_chemical_formula_sum   'Nb1 In1 Ru2'
_cell_volume   67.75
_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  0.0  0.0  0.0  1.0
  In  In1  1  0.0  0.21  0.53  1.0
  Ru  Ru2  1  0.0  0.7  0.17  1.0
  Ru  Ru3  1  0.0  0.72  0.88  1.0

Nb In Ru Ru
NbRu2In crystallizes in the triclinic P1 space group. Nb(1) is bonded in a distorted single-bond geometry to one Ru(1), one Ru(2), and two equivalent In(1) atoms. The Nb(1)-Ru(1) bond length is 1.86 Å. The Nb(1)-Ru(2) bond length is 1.32 Å. There is one shorter (2.63 Å) and one longer (2.83 Å) Nb(1)-In(1) bond length. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a 3-coordinate geometry to one Nb(1), one Ru(2), and three equivalent In(1) atoms. The Ru(1)-Ru(2) bond length is 1.53 Å. There are a spread of Ru(1)-In(1) bond distances ranging from 2.63-3.40 Å. In the second Ru site, Ru(2) is bonded in a distorted single-bond geometry to one Nb(1), one Ru(1), and three equivalent In(1) atoms. There are a spread of Ru(2)-In(1) bond distances ranging from 2.63-3.40 Å. In(1) is bonded in a 10-coordinate geometry to two equivalent Nb(1), three equivalent Ru(1), three equivalent Ru(2), and two equivalent In(1) atoms. Both In(1)-In(1) bond lengths are 3.07 Å.