data_Y2MgPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.29
_cell_length_b   6.29
_cell_length_c   6.29
_cell_angle_alpha   137.57
_cell_angle_beta   137.57
_cell_angle_gamma   61.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2MgPb
_chemical_formula_sum   'Y2 Mg1 Pb1'
_cell_volume   112.19
_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  0.41  1.0
  Y  Y3  1  0.0  0.28  0.7  1.0
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.28  0.0  0.7  1.0

data_Y2MgPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.56
_cell_length_b   4.56
_cell_length_c   6.29
_cell_angle_alpha   111.22
_cell_angle_beta   111.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2MgPb
_chemical_formula_sum   'Y2 Mg1 Pb1'
_cell_volume   112.19
_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  0.57  0.28  0.57  1.0
  Y  Y1  1  0.59  0.0  0.59  1.0
  Mg  Mg2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.3  0.0  0.57  1.0

Y Y Mg Pb
Y Y Mg Pb 0 1 o o o 0 3 o o o 0 2 o o o 1 2 o o + 1 2 o o o 1 2 o + + 2 3 - o - 2 3 o o - 2 3 o o o 
MgY2Pb crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 5-coordinate geometry to one Y(1), two equivalent Y(2), and two equivalent Pb(1) atoms. The Mg(1)-Y(1) bond length is 2.56 Å. There is one shorter (3.37 Å) and one longer (3.41 Å) Mg(1)-Y(2) bond length. There is one shorter (3.37 Å) and one longer (3.41 Å) Mg(1)-Pb(1) bond length. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a distorted single-bond geometry to one Mg(1), one Y(2), and one Pb(1) atom. The Y(1)-Y(2) bond length is 1.31 Å. The Y(1)-Pb(1) bond length is 1.31 Å. In the second Y site, Y(2) is bonded in a 2-coordinate geometry to two equivalent Mg(1), one Y(1), and one Pb(1) atom. The Y(2)-Pb(1) bond length is 1.79 Å. Pb(1) is bonded in a distorted single-bond geometry to two equivalent Mg(1), one Y(1), and one Y(2) atom.