data_YMgMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.61
_cell_length_b   5.61
_cell_length_c   5.61
_cell_angle_alpha   142.2
_cell_angle_beta   133.57
_cell_angle_gamma   61.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMgMo2
_chemical_formula_sum   'Y1 Mg1 Mo2'
_cell_volume   77.48
_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  0.82  1.0
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.82  0.0  0.39  1.0
  Mo  Mo2  1  0.0  0.21  0.43  1.0

data_YMgMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.63
_cell_length_b   4.42
_cell_length_c   5.61
_cell_angle_alpha   113.21
_cell_angle_beta   108.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMgMo2
_chemical_formula_sum   'Y1 Mg1 Mo2'
_cell_volume   77.48
_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  0.82  0.82  1.0
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  Mo  Mo2  1  0.0  0.39  0.58  1.0
  Mo  Mo3  1  0.79  0.22  0.22  1.0

Y Mg Mo Mo
MgYMo2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one MgYMo2 cluster. Mg(1) is bonded in a distorted bent 150 degrees geometry to one Y(1) and one Mo(2) atom. The Mg(1)-Y(1) bond length is 0.99 Å. The Mg(1)-Mo(2) bond length is 1.65 Å. Y(1) is bonded in a distorted bent 150 degrees geometry to one Mg(1) and one Mo(1) atom. The Y(1)-Mo(1) bond length is 1.86 Å. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a distorted single-bond geometry to one Y(1) atom. In the second Mo site, Mo(2) is bonded in a distorted single-bond geometry to one Mg(1) atom.