data_NaY2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.16
_cell_length_b   4.92
_cell_length_c   6.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaY2Mo
_chemical_formula_sum   'Na1 Y2 Mo1'
_cell_volume   102.75
_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
  Na  Na1  1  0.0  0.0  0.93  1.0
  Y  Y2  1  0.58  0.46  0.6  1.0
  Y  Y3  1  0.0  0.0  0.97  1.0
  Mo  Mo0  1  0.58  0.46  0.02  1.0

data_NaY2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.16
_cell_length_b   4.92
_cell_length_c   6.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaY2Mo
_chemical_formula_sum   'Na1 Y2 Mo1'
_cell_volume   102.75
_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
  Na  Na0  1  0.0  0.0  0.93  1.0
  Y  Y1  1  0.0  0.0  0.97  1.0
  Y  Y2  1  0.58  0.46  0.6  1.0
  Mo  Mo3  1  0.58  0.46  0.02  1.0

Na Y Y Mo
NaY2Mo crystallizes in the triclinic P1 space group. Na(1) is bonded in a single-bond geometry to one Y(2) and four equivalent Mo(1) atoms. The Na(1)-Y(2) bond length is 0.23 Å. There are a spread of Na(1)-Mo(1) bond distances ranging from 2.69-3.29 Å. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 1-coordinate geometry to two equivalent Mo(1) atoms. There is one shorter (2.78 Å) and one longer (3.83 Å) Y(1)-Mo(1) bond length. In the second Y site, Y(2) is bonded in a single-bond geometry to one Na(1) and four equivalent Mo(1) atoms. There are a spread of Y(2)-Mo(1) bond distances ranging from 2.64-3.25 Å. Mo(1) is bonded in a 12-coordinate geometry to four equivalent Na(1), two equivalent Y(1), four equivalent Y(2), and two equivalent Mo(1) atoms. Both Mo(1)-Mo(1) bond lengths are 3.16 Å.