data_YMgZn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   4.89
_cell_angle_alpha   123.05
_cell_angle_beta   120.41
_cell_angle_gamma   87.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMgZn2
_chemical_formula_sum   'Y1 Mg1 Zn2'
_cell_volume   80.52
_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  Y1  1  0.0  0.0  0.55  1.0
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Zn  Zn2  1  0.0  0.43  0.83  1.0
  Zn  Zn3  1  0.33  0.0  0.72  1.0

data_YMgZn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.67
_cell_length_b   4.86
_cell_length_c   4.89
_cell_angle_alpha   119.8
_cell_angle_beta   118.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMgZn2
_chemical_formula_sum   'Y1 Mg1 Zn2'
_cell_volume   80.52
_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  0.45  0.45  0.45  1.0
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  Zn  Zn2  1  0.17  0.6  0.6  1.0
  Zn  Zn3  1  0.61  0.28  0.61  1.0

Y Mg Zn Zn
MgZn2Y crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 7-coordinate geometry to two equivalent Y(1), two equivalent Zn(1), and three equivalent Zn(2) atoms. There is one shorter (2.21 Å) and one longer (2.68 Å) Mg(1)-Y(1) bond length. There is one shorter (2.43 Å) and one longer (2.66 Å) Mg(1)-Zn(1) bond length. There are a spread of Mg(1)-Zn(2) bond distances ranging from 2.61-3.04 Å. Y(1) is bonded in a distorted water-like geometry to two equivalent Mg(1), one Zn(1), and one Zn(2) atom. The Y(1)-Zn(1) bond length is 1.78 Å. The Y(1)-Zn(2) bond length is 1.41 Å. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 1-coordinate geometry to two equivalent Mg(1) and one Y(1) atom. In the second Zn site, Zn(2) is bonded in a single-bond geometry to three equivalent Mg(1) and one Y(1) atom.