data_SrZn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26
_cell_length_b   5.26
_cell_length_c   5.26
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrZn
_chemical_formula_sum   'Sr2 Zn2'
_cell_volume   103.19
_cell_formula_units_Z   2
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  0.72  0.72  0.72  1.0
  Sr  Sr1  1  0.58  0.58  0.58  1.0
  Zn  Zn2  1  0.0  0.0  0.0  1.0
  Zn  Zn3  1  0.86  0.86  0.86  1.0

data_SrZn
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.26
_cell_length_b   5.26
_cell_length_c   12.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   SrZn
_chemical_formula_sum   'Sr6 Zn6'
_cell_volume   309.57
_cell_formula_units_Z   6
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  0.28  1.0
  Sr  Sr1  3  0.0  0.0  0.42  1.0
  Zn  Zn2  3  0.0  0.0  0.0  1.0
  Zn  Zn3  3  0.0  0.0  0.14  1.0

Sr Sr Zn Zn
Sr Sr Zn Zn 0 1 o o o 0 3 o o o 2 3 - - - 
ZnSr crystallizes in the trigonal R3m space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a distorted single-bond geometry to one Sr(2), one Zn(2), and three equivalent Zn(1) atoms. The Sr(1)-Sr(2) bond length is 1.79 Å. The Sr(1)-Zn(2) bond length is 1.79 Å. All Sr(1)-Zn(1) bond lengths are 3.12 Å. In the second Sr site, Sr(2) is bonded in a 4-coordinate geometry to one Sr(1), three equivalent Zn(1), and three equivalent Zn(2) atoms. All Sr(2)-Zn(1) bond lengths are 3.22 Å. All Sr(2)-Zn(2) bond lengths are 3.12 Å. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 7-coordinate geometry to three equivalent Sr(1), three equivalent Sr(2), and one Zn(2) atom. The Zn(1)-Zn(2) bond length is 1.79 Å. In the second Zn site, Zn(2) is bonded in a distorted single-bond geometry to one Sr(1), three equivalent Sr(2), and one Zn(1) atom.