data_YZn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.79
_cell_length_b   6.79
_cell_length_c   6.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YZn2
_chemical_formula_sum   'Y4 Zn8'
_cell_volume   313.64
_cell_formula_units_Z   4
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  0.0  0.0  1.0
  Y  Y1  1  0.4  0.4  0.0  1.0
  Y  Y2  1  0.4  0.0  0.4  1.0
  Y  Y3  1  0.0  0.4  0.4  1.0
  Zn  Zn4  1  0.7  0.7  0.7  1.0
  Zn  Zn5  1  0.1  0.1  0.1  1.0
  Zn  Zn6  1  0.09  0.7  0.1  1.0
  Zn  Zn7  1  0.7  0.09  0.7  1.0
  Zn  Zn8  1  0.1  0.09  0.7  1.0
  Zn  Zn9  1  0.7  0.7  0.09  1.0
  Zn  Zn10  1  0.7  0.1  0.09  1.0
  Zn  Zn11  1  0.09  0.7  0.7  1.0

data_YZn2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   9.61
_cell_length_b   9.61
_cell_length_c   11.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   YZn2
_chemical_formula_sum   'Y12 Zn24'
_cell_volume   940.91
_cell_formula_units_Z   12
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  9  0.07  0.53  0.93  1.0
  Y  Y1  3  0.0  0.0  0.0  1.0
  Zn  Zn2  9  0.07  0.54  0.63  1.0
  Zn  Zn3  9  0.2  0.4  0.5  1.0
  Zn  Zn4  3  0.0  0.0  0.1  1.0
  Zn  Zn5  3  0.0  0.0  0.7  1.0

Y Y Y Y Zn Zn Zn Zn Zn Zn Zn Zn
Zn2Y crystallizes in the trigonal R3 space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a distorted single-bond geometry to one Zn(2), three equivalent Zn(3), and three equivalent Zn(4) atoms. The Y(1)-Zn(2) bond length is 1.16 Å. All Y(1)-Zn(3) bond lengths are 2.22 Å. All Y(1)-Zn(4) bond lengths are 2.96 Å. In the second Y site, Y(2) is bonded in a 4-coordinate geometry to one Zn(1), one Zn(2), two equivalent Zn(3), and three equivalent Zn(4) atoms. The Y(2)-Zn(1) bond length is 3.53 Å. The Y(2)-Zn(2) bond length is 2.94 Å. There is one shorter (2.96 Å) and one longer (3.00 Å) Y(2)-Zn(3) bond length. There are a spread of Y(2)-Zn(4) bond distances ranging from 2.96-3.59 Å. There are four inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 6-coordinate geometry to three equivalent Y(2) and three equivalent Zn(4) atoms. All Zn(1)-Zn(4) bond lengths are 2.70 Å. In the second Zn site, Zn(2) is bonded in a single-bond geometry to one Y(1) and three equivalent Y(2) atoms. In the third Zn site, Zn(3) is bonded in a 1-coordinate geometry to one Y(1), two equivalent Y(2), and two equivalent Zn(4) atoms. Both Zn(3)-Zn(4) bond lengths are 2.70 Å. In the fourth Zn site, Zn(4) is bonded in a 7-coordinate geometry to one Y(1), three equivalent Y(2), one Zn(1), and two equivalent Zn(3) atoms.