data_YNb2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.31
_cell_length_b   5.09
_cell_length_c   4.95
_cell_angle_alpha   90.0
_cell_angle_beta   95.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YNb2As
_chemical_formula_sum   'Y1 Nb2 As1'
_cell_volume   83.07
_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  0.43  0.0  0.47  1.0
  Nb  Nb1  1  0.07  0.55  0.7  1.0
  Nb  Nb2  1  0.79  0.55  0.23  1.0
  As  As0  1  0.0  0.0  0.0  1.0

data_YNb2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.31
_cell_length_b   4.95
_cell_length_c   5.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   95.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YNb2As
_chemical_formula_sum   'Y1 Nb2 As1'
_cell_volume   83.07
_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  0.57  0.53  0.0  1.0
  Nb  Nb1  1  0.21  0.77  0.45  1.0
  Nb  Nb2  1  0.93  0.3  0.45  1.0
  As  As3  1  0.0  0.0  0.0  1.0

Y Nb Nb As
YNb2As crystallizes in the triclinic P1 space group. Y(1) is bonded in a 1-coordinate geometry to one Nb(1) and four equivalent As(1) atoms. The Y(1)-Nb(1) bond length is 2.90 Å. There are a spread of Y(1)-As(1) bond distances ranging from 2.61-3.12 Å. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 4-coordinate geometry to one Y(1), one Nb(2), and two equivalent As(1) atoms. The Nb(1)-Nb(2) bond length is 2.45 Å. There is one shorter (2.76 Å) and one longer (3.16 Å) Nb(1)-As(1) bond length. In the second Nb site, Nb(2) is bonded in a 1-coordinate geometry to one Nb(1) and two equivalent As(1) atoms. There is one shorter (2.69 Å) and one longer (3.10 Å) Nb(2)-As(1) bond length. As(1) is bonded in a 8-coordinate geometry to four equivalent Y(1), two equivalent Nb(1), and two equivalent Nb(2) atoms.