data_SrTaZn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   5.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTaZn3
_chemical_formula_sum   'Sr1 Ta1 Zn3'
_cell_volume   131.33
_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  Ta4  1  0.54  0.54  0.54  1.0
  Zn  Zn1  1  0.54  0.0  0.54  1.0
  Zn  Zn2  1  0.54  0.54  0.0  1.0
  Zn  Zn3  1  0.0  0.54  0.54  1.0

data_SrTaZn3
_symmetry_space_group_name_H-M   R3m
_cell_length_a   7.19
_cell_length_b   7.19
_cell_length_c   8.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   SrTaZn3
_chemical_formula_sum   'Sr3 Ta3 Zn9'
_cell_volume   394.0
_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  0.54  1.0
  Zn  Zn2  9  0.18  0.36  0.36  1.0

Sr Ta Zn Zn Zn
Sr Ta Zn Zn Zn 0 1 - - - 0 3 - - o 0 3 - o o 0 3 o - o 0 3 o o o 0 2 - o - 0 2 - o o 0 2 o o - 0 2 o o o 0 4 o - - 0 4 o - o 0 4 o o - 0 4 o o o 1 4 o o o 1 4 + o o 1 2 o o o 1 2 o + o 1 3 o o o 1 3 o o + 
SrTaZn3 is (Cubic) Perovskite structured and crystallizes in the trigonal R3m space group. Sr(1) is bonded to nine equivalent Zn(1) atoms to form distorted SrZn9 cuboctahedra that share corners with six equivalent Sr(1)Zn9 cuboctahedra, edges with six equivalent Sr(1)Zn9 cuboctahedra, edges with three equivalent Ta(1)Zn6 octahedra, and faces with four equivalent Ta(1)Zn6 octahedra. There are three shorter (3.30 Å) and six longer (3.61 Å) Sr(1)-Zn(1) bond lengths. Ta(1) is bonded to six equivalent Zn(1) atoms to form TaZn6 octahedra that share corners with six equivalent Ta(1)Zn6 octahedra, edges with three equivalent Sr(1)Zn9 cuboctahedra, and faces with four equivalent Sr(1)Zn9 cuboctahedra. The corner-sharing octahedra are not tilted. There are three shorter (2.33 Å) and three longer (2.75 Å) Ta(1)-Zn(1) bond lengths. Zn(1) is bonded in a 5-coordinate geometry to three equivalent Sr(1) and two equivalent Ta(1) atoms.