data_SrTaZn4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.38
_cell_length_b   5.38
_cell_length_c   5.38
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTaZn4
_chemical_formula_sum   'Sr1 Ta1 Zn4'
_cell_volume   109.81
_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  0.0  0.0  0.0  1.0
  Ta  Ta1  1  0.9  0.9  0.9  1.0
  Zn  Zn2  1  0.87  0.87  0.74  1.0
  Zn  Zn3  1  0.87  0.74  0.87  1.0
  Zn  Zn4  1  0.74  0.87  0.87  1.0
  Zn  Zn5  1  0.74  0.74  0.74  1.0

data_SrTaZn4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.38
_cell_length_b   5.38
_cell_length_c   13.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   SrTaZn4
_chemical_formula_sum   'Sr3 Ta3 Zn12'
_cell_volume   329.42
_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  0.0  1.0
  Ta  Ta1  3  0.0  0.0  0.1  1.0
  Zn  Zn2  9  0.09  0.04  0.18  1.0
  Zn  Zn3  3  0.0  0.0  0.26  1.0

Sr Ta Zn Zn Zn Zn
SrTaZn4 crystallizes in the trigonal R3m space group. Sr(1) is bonded in a single-bond geometry to one Ta(1), three equivalent Zn(1), and three equivalent Zn(2) atoms. The Sr(1)-Ta(1) bond length is 1.31 Å. All Sr(1)-Zn(1) bond lengths are 3.39 Å. All Sr(1)-Zn(2) bond lengths are 3.23 Å. Ta(1) is bonded in a distorted single-bond geometry to one Sr(1) and three equivalent Zn(1) atoms. All Ta(1)-Zn(1) bond lengths are 1.10 Å. There are two inequivalent Zn sites. In the first Zn site, Zn(2) is bonded in a 6-coordinate geometry to three equivalent Sr(1) and three equivalent Zn(1) atoms. All Zn(2)-Zn(1) bond lengths are 1.21 Å. In the second Zn site, Zn(1) is bonded in a 5-coordinate geometry to one Sr(1), one Ta(1), one Zn(2), and two equivalent Zn(1) atoms. Both Zn(1)-Zn(1) bond lengths are 0.70 Å.