data_KSr2Zn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.07
_cell_length_b   6.07
_cell_length_c   6.07
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSr2Zn
_chemical_formula_sum   'K1 Sr2 Zn1'
_cell_volume   157.83
_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
  K  K0  1  0.0  0.0  0.0  1.0
  Sr  Sr1  1  0.43  0.43  0.43  1.0
  Sr  Sr2  1  0.14  0.14  0.14  1.0
  Zn  Zn3  1  0.29  0.29  0.29  1.0

data_KSr2Zn
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.07
_cell_length_b   6.07
_cell_length_c   14.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   KSr2Zn
_chemical_formula_sum   'K3 Sr6 Zn3'
_cell_volume   473.5
_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
  K  K0  3  0.0  0.0  0.0  1.0
  Sr  Sr1  3  0.0  0.0  0.57  1.0
  Sr  Sr2  3  0.0  0.0  0.86  1.0
  Zn  Zn3  3  0.0  0.0  0.71  1.0

K Sr Sr Zn
K Sr Sr Zn 0 2 o o o 1 3 o o o 2 3 o o o 
KSr2Zn crystallizes in the trigonal R3m space group. K(1) is bonded in a 4-coordinate geometry to one Sr(2) and three equivalent Zn(1) atoms. The K(1)-Sr(2) bond length is 2.15 Å. All K(1)-Zn(1) bond lengths are 3.56 Å. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a single-bond geometry to one Zn(1) atom. The Sr(1)-Zn(1) bond length is 2.15 Å. In the second Sr site, Sr(2) is bonded in a distorted linear geometry to one K(1) and one Zn(1) atom. The Sr(2)-Zn(1) bond length is 2.15 Å. Zn(1) is bonded in a distorted linear geometry to three equivalent K(1), one Sr(1), and one Sr(2) atom.