data_SrY4Zn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.62
_cell_length_b   6.62
_cell_length_c   6.62
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrY4Zn
_chemical_formula_sum   'Sr1 Y4 Zn1'
_cell_volume   204.99
_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
  Sr  Sr0  1  0.34  0.34  0.34  1.0
  Y  Y1  1  0.5  0.5  0.86  1.0
  Y  Y2  1  0.5  0.86  0.5  1.0
  Y  Y3  1  0.86  0.5  0.5  1.0
  Y  Y4  1  0.86  0.86  0.86  1.0
  Zn  Zn5  1  0.0  0.0  0.0  1.0

data_SrY4Zn
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.62
_cell_length_b   6.62
_cell_length_c   16.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   SrY4Zn
_chemical_formula_sum   'Sr3 Y12 Zn3'
_cell_volume   614.96
_cell_formula_units_Z   3
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
  Sr  Sr0  3  0.0  0.0  0.66  1.0
  Y  Y1  9  0.09  0.55  0.05  1.0
  Y  Y2  3  0.0  0.0  0.14  1.0
  Zn  Zn3  3  0.0  0.0  0.0  1.0

Sr Y Y Y Y Zn
Sr Y Y Y Y Zn 0 3 - o o 0 2 o - o 0 1 o o - 1 3 o o o 1 2 o o o 2 3 o o o 4 5 + + + 
SrY3YZn crystallizes in the trigonal R3m space group. The structure is zero-dimensional and consists of three SrY3 clusters and three YZn clusters. In each SrY3 cluster, Sr(1) is bonded in a trigonal non-coplanar geometry to three equivalent Y(1) atoms. All Sr(1)-Y(1) bond lengths are 2.60 Å. Y(1) is bonded in a 1-coordinate geometry to one Sr(1) atom. In each YZn cluster, Y(2) is bonded in a single-bond geometry to one Zn(1) atom. The Y(2)-Zn(1) bond length is 2.29 Å. Zn(1) is bonded in a single-bond geometry to one Y(2) atom.