data_Y3Zn4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.49
_cell_length_b   6.49
_cell_length_c   6.71
_cell_angle_alpha   94.24
_cell_angle_beta   94.24
_cell_angle_gamma   34.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y3Zn4
_chemical_formula_sum   'Y3 Zn4'
_cell_volume   159.79
_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  0.96  0.0  0.56  1.0
  Y  Y1  1  0.9  0.0  0.13  1.0
  Y  Y2  1  0.0  0.0  0.0  1.0
  Zn  Zn3  1  0.96  0.0  0.87  1.0
  Zn  Zn4  1  0.17  0.0  0.08  1.0
  Zn  Zn5  1  0.7  0.0  0.6  1.0
  Zn  Zn6  1  0.91  0.0  0.82  1.0

data_Y3Zn4
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.86
_cell_length_b   6.49
_cell_length_c   6.71
_cell_angle_alpha   94.24
_cell_angle_beta   90.0
_cell_angle_gamma   107.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y3Zn4
_chemical_formula_sum   'Y3 Zn4'
_cell_volume   159.79
_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  0.0  0.0  0.0  1.0
  Y  Y1  1  0.0  0.04  0.44  1.0
  Y  Y2  1  0.0  0.1  0.87  1.0
  Zn  Zn3  1  0.0  0.04  0.13  1.0
  Zn  Zn4  1  0.0  0.09  0.18  1.0
  Zn  Zn5  1  0.0  0.3  0.4  1.0
  Zn  Zn6  1  0.0  0.83  0.92  1.0

Y Y Y Zn Zn Zn Zn
Y3Zn4 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Y3Zn4 cluster. There are three inequivalent Y sites. In the first Y site, Y(1) is bonded in a 2-coordinate geometry to one Zn(3) and one Zn(4) atom. The Y(1)-Zn(3) bond length is 1.76 Å. The Y(1)-Zn(4) bond length is 1.84 Å. In the second Y site, Y(2) is bonded in a distorted single-bond geometry to one Y(3) atom. The Y(2)-Y(3) bond length is 1.11 Å. In the third Y site, Y(3) is bonded in a 3-coordinate geometry to one Y(2), one Zn(1), and one Zn(2) atom. The Y(3)-Zn(1) bond length is 0.92 Å. The Y(3)-Zn(2) bond length is 1.19 Å. There are four inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a bent 150 degrees geometry to one Y(3) and one Zn(4) atom. The Zn(1)-Zn(4) bond length is 0.43 Å. In the second Zn site, Zn(2) is bonded in a single-bond geometry to one Y(3) atom. In the third Zn site, Zn(3) is bonded in a distorted single-bond geometry to one Y(1) atom. In the fourth Zn site, Zn(4) is bonded in a distorted bent 120 degrees geometry to one Y(1) and one Zn(1) atom.