data_Y2MgMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.14
_cell_length_b   3.14
_cell_length_c   10.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   102.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2MgMo
_chemical_formula_sum   'Y2 Mg1 Mo1'
_cell_volume   97.57
_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  Y2  1  0.0  0.0  0.45  1.0
  Y  Y3  1  0.95  0.0  0.44  1.0
  Mg  Mg0  1  0.0  0.0  0.72  1.0
  Mo  Mo1  1  0.95  0.0  0.65  1.0

data_Y2MgMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   3.14
_cell_length_c   10.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   102.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2MgMo
_chemical_formula_sum   'Y2 Mg1 Mo1'
_cell_volume   97.57
_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  0.45  1.0
  Y  Y1  1  0.95  0.0  0.44  1.0
  Mg  Mg2  1  0.0  0.0  0.72  1.0
  Mo  Mo3  1  0.95  0.0  0.65  1.0

Y Y Mg Mo
MgY2Mo crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one MgY2Mo cluster. Mg(1) is bonded in a single-bond geometry to one Mo(1) atom. The Mg(1)-Mo(1) bond length is 0.66 Å. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a bent 120 degrees geometry to one Y(2) and one Mo(1) atom. The Y(1)-Y(2) bond length is 0.17 Å. The Y(1)-Mo(1) bond length is 2.05 Å. In the second Y site, Y(2) is bonded in a single-bond geometry to one Y(1) atom. Mo(1) is bonded in a distorted single-bond geometry to one Mg(1) and one Y(1) atom.