data_YNb2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.84
_cell_length_b   4.91
_cell_length_c   5.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YNb2Mo
_chemical_formula_sum   'Y1 Nb2 Mo1'
_cell_volume   79.12
_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  0.0  0.0  0.0  1.0
  Nb  Nb1  1  0.42  0.46  0.16  1.0
  Nb  Nb2  1  0.42  0.46  0.51  1.0
  Mo  Mo0  1  0.0  0.0  0.84  1.0

data_YNb2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.84
_cell_length_b   4.91
_cell_length_c   5.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YNb2Mo
_chemical_formula_sum   'Y1 Nb2 Mo1'
_cell_volume   79.12
_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  0.0  0.0  0.0  1.0
  Nb  Nb1  1  0.42  0.46  0.16  1.0
  Nb  Nb2  1  0.42  0.46  0.51  1.0
  Mo  Mo3  1  0.0  0.0  0.84  1.0

Y Nb Nb Mo
YNb2Mo crystallizes in the triclinic P1 space group. Y(1) is bonded in a single-bond geometry to four equivalent Nb(1) and one Mo(1) atom. There are a spread of Y(1)-Nb(1) bond distances ranging from 2.70-3.27 Å. The Y(1)-Mo(1) bond length is 0.93 Å. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 7-coordinate geometry to four equivalent Y(1), one Nb(2), and two equivalent Nb(1) atoms. The Nb(1)-Nb(2) bond length is 1.96 Å. Both Nb(1)-Nb(1) bond lengths are 2.84 Å. In the second Nb site, Nb(2) is bonded in a 7-coordinate geometry to one Nb(1), two equivalent Nb(2), and four equivalent Mo(1) atoms. Both Nb(2)-Nb(2) bond lengths are 2.84 Å. There are a spread of Nb(2)-Mo(1) bond distances ranging from 3.14-3.65 Å. Mo(1) is bonded in a single-bond geometry to one Y(1) and four equivalent Nb(2) atoms.