data_YNb2Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.8
_cell_length_b   4.4
_cell_length_c   4.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YNb2Ga
_chemical_formula_sum   'Y1 Nb2 Ga1'
_cell_volume   79.65
_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
  Y  Y3  1  0.9  0.2  0.0  1.0
  Nb  Nb1  1  0.0  0.2  0.38  1.0
  Nb  Nb2  1  0.9  0.0  0.38  1.0
  Ga  Ga0  1  0.0  0.0  0.0  1.0

data_YNb2Ga
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.8
_cell_length_b   4.4
_cell_length_c   4.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YNb2Ga
_chemical_formula_sum   'Y1 Nb2 Ga1'
_cell_volume   79.65
_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
  Y  Y0  1  0.9  0.2  0.0  1.0
  Nb  Nb1  1  0.0  0.2  0.38  1.0
  Nb  Nb2  1  0.9  0.0  0.38  1.0
  Ga  Ga3  1  0.0  0.0  0.0  1.0

Y Nb Nb Ga
Y Nb Nb Ga 0 3 + o o 1 2 - o o 
YNb2Ga is alpha Po structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one YNb2Ga cluster. Y(1) is bonded in a single-bond geometry to one Nb(1) and one Ga(1) atom. The Y(1)-Nb(1) bond length is 1.86 Å. The Y(1)-Ga(1) bond length is 0.94 Å. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 2-coordinate geometry to one Y(1) and one Nb(2) atom. The Nb(1)-Nb(2) bond length is 0.94 Å. In the second Nb site, Nb(2) is bonded in a 2-coordinate geometry to one Nb(1) and one Ga(1) atom. The Nb(2)-Ga(1) bond length is 1.86 Å. Ga(1) is bonded in a single-bond geometry to one Y(1) and one Nb(2) atom.