data_Sr4YZn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.3
_cell_length_b   7.3
_cell_length_c   7.3
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr4YZn
_chemical_formula_sum   'Sr4 Y1 Zn1'
_cell_volume   275.55
_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  0.45  0.45  0.88  1.0
  Sr  Sr1  1  0.45  0.88  0.45  1.0
  Sr  Sr2  1  0.88  0.45  0.45  1.0
  Sr  Sr3  1  0.88  0.88  0.88  1.0
  Y  Y4  1  0.75  0.75  0.75  1.0
  Zn  Zn5  1  0.0  0.0  0.0  1.0

data_Sr4YZn
_symmetry_space_group_name_H-M   R3m
_cell_length_a   7.3
_cell_length_b   7.3
_cell_length_c   17.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Sr4YZn
_chemical_formula_sum   'Sr12 Y3 Zn3'
_cell_volume   826.66
_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  9  0.04  0.52  0.07  1.0
  Sr  Sr1  3  0.0  0.0  0.12  1.0
  Y  Y2  3  0.0  0.0  0.25  1.0
  Zn  Zn3  3  0.0  0.0  -0.0  1.0

Sr Sr Sr Sr Y Zn
Sr Sr Sr Sr Y Zn 0 3 - o o 0 3 o - o 0 5 o + + 0 5 + o + 0 2 o o o 0 1 o o o 0 4 o o o 1 5 o + + 1 5 + + o 1 3 - o o 1 3 o o - 1 4 o o o 1 2 o o o 2 5 + o + 2 5 + + o 2 3 o - o 2 3 o o - 2 4 o o o 3 4 o o o 3 5 + + + 
Sr4YZn crystallizes in the trigonal R3m space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to two equivalent Sr(2), four equivalent Sr(1), one Y(1), and two equivalent Zn(1) atoms. Both Sr(1)-Sr(2) bond lengths are 3.75 Å. There are two shorter (3.16 Å) and two longer (4.14 Å) Sr(1)-Sr(1) bond lengths. The Sr(1)-Y(1) bond length is 3.31 Å. Both Sr(1)-Zn(1) bond lengths are 3.89 Å. In the second Sr site, Sr(2) is bonded in a distorted linear geometry to six equivalent Sr(1), one Y(1), and one Zn(1) atom. The Sr(2)-Y(1) bond length is 2.40 Å. The Sr(2)-Zn(1) bond length is 2.12 Å. Y(1) is bonded in a distorted single-bond geometry to one Sr(2) and three equivalent Sr(1) atoms. Zn(1) is bonded in a single-bond geometry to one Sr(2) and six equivalent Sr(1) atoms.