data_Y2MgRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.44
_cell_length_b   3.44
_cell_length_c   8.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2MgRu
_chemical_formula_sum   'Y2 Mg1 Ru1'
_cell_volume   97.32
_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  0.4  0.0  0.77  1.0
  Y  Y3  1  0.4  0.0  0.47  1.0
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Ru  Ru1  1  0.0  0.0  0.12  1.0

data_Y2MgRu
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.44
_cell_length_b   3.44
_cell_length_c   8.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Y2MgRu
_chemical_formula_sum   'Y2 Mg1 Ru1'
_cell_volume   97.35
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.4  0.0  0.47  1.0
  Y  Y1  1  0.4  0.0  0.77  1.0
  Mg  Mg2  1  0.0  0.0  0.0  1.0
  Ru  Ru3  1  0.0  0.0  0.12  1.0

Y Y Mg Ru
MgY2Ru crystallizes in the monoclinic Pm space group. Mg(1) is bonded in a single-bond geometry to two equivalent Y(1) and one Ru(1) atom. There is one shorter (2.34 Å) and one longer (2.81 Å) Mg(1)-Y(1) bond length. The Mg(1)-Ru(1) bond length is 0.98 Å. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 3-coordinate geometry to two equivalent Mg(1) and one Y(2) atom. The Y(1)-Y(2) bond length is 2.49 Å. In the second Y site, Y(2) is bonded in a 7-coordinate geometry to one Y(1), four equivalent Y(2), and two equivalent Ru(1) atoms. All Y(2)-Y(2) bond lengths are 3.44 Å. There is one shorter (3.18 Å) and one longer (3.54 Å) Y(2)-Ru(1) bond length. Ru(1) is bonded in a single-bond geometry to one Mg(1) and two equivalent Y(2) atoms.