data_YMgAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.77
_cell_length_b   7.77
_cell_length_c   4.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMgAg
_chemical_formula_sum   'Y3 Mg3 Ag3'
_cell_volume   214.41
_cell_formula_units_Z   3
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  0.6  0.77  0.0  1.0
  Y  Y1  1  0.71  0.96  0.0  1.0
  Y  Y2  1  0.57  0.0  0.0  1.0
  Mg  Mg3  1  0.92  0.06  0.05  1.0
  Mg  Mg4  1  0.93  0.0  0.05  1.0
  Mg  Mg5  1  0.04  0.67  0.05  1.0
  Ag  Ag6  1  0.88  0.24  0.05  1.0
  Ag  Ag7  1  0.0  0.48  0.05  1.0
  Ag  Ag8  1  0.0  0.0  0.0  1.0

data_YMgAg
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.1
_cell_length_b   7.77
_cell_length_c   7.77
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMgAg
_chemical_formula_sum   'Y3 Mg3 Ag3'
_cell_volume   214.41
_cell_formula_units_Z   3
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  0.57  0.0  1.0
  Y  Y1  1  0.0  0.6  0.77  1.0
  Y  Y2  1  0.0  0.71  0.96  1.0
  Mg  Mg3  1  0.05  0.04  0.67  1.0
  Mg  Mg4  1  0.05  0.92  0.06  1.0
  Mg  Mg5  1  0.05  0.93  0.0  1.0
  Ag  Ag6  1  0.0  0.0  0.0  1.0
  Ag  Ag7  1  0.05  -0.0  0.48  1.0
  Ag  Ag8  1  0.05  0.88  0.24  1.0

Y Y Y Mg Mg Mg Ag Ag Ag
MgYAg crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one MgYAg cluster. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 1-coordinate geometry to one Mg(2), one Y(2), and one Ag(1) atom. The Mg(1)-Mg(2) bond length is 0.48 Å. The Mg(1)-Y(2) bond length is 1.40 Å. The Mg(1)-Ag(1) bond length is 1.59 Å. In the second Mg site, Mg(2) is bonded in a bent 120 degrees geometry to one Mg(1), one Y(2), and one Ag(3) atom. The Mg(2)-Y(2) bond length is 1.52 Å. The Mg(2)-Ag(3) bond length is 0.62 Å. In the third Mg site, Mg(3) is bonded in a distorted single-bond geometry to one Ag(2) atom. The Mg(3)-Ag(2) bond length is 1.30 Å. There are three inequivalent Y sites. In the first Y site, Y(1) is bonded in a single-bond geometry to one Y(2) atom. The Y(1)-Y(2) bond length is 1.28 Å. In the second Y site, Y(2) is bonded in a 5-coordinate geometry to one Mg(1), one Mg(2), one Y(1), one Y(3), and one Ag(1) atom. The Y(2)-Y(3) bond length is 1.32 Å. The Y(2)-Ag(1) bond length is 1.94 Å. In the third Y site, Y(3) is bonded in a 2-coordinate geometry to one Y(2) and one Ag(1) atom. The Y(3)-Ag(1) bond length is 2.22 Å. There are three inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 4-coordinate geometry to one Mg(1), one Y(2), one Y(3), and one Ag(2) atom. The Ag(1)-Ag(2) bond length is 1.63 Å. In the second Ag site, Ag(2) is bonded in a distorted single-bond geometry to one Mg(3) and one Ag(1) atom. In the third Ag site, Ag(3) is bonded in a single-bond geometry to one Mg(2) atom.