data_TaZnSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.59
_cell_length_b   4.59
_cell_length_c   4.59
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaZnSn
_chemical_formula_sum   'Ta1 Zn1 Sn1'
_cell_volume   68.2
_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
  Ta  Ta1  1  0.62  0.62  0.62  1.0
  Zn  Zn2  1  0.0  0.0  0.0  1.0
  Sn  Sn0  1  0.24  0.24  0.24  1.0

data_TaZnSn
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.59
_cell_length_b   4.59
_cell_length_c   11.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   TaZnSn
_chemical_formula_sum   'Ta3 Zn3 Sn3'
_cell_volume   204.6
_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
  Ta  Ta0  3  0.0  0.0  0.38  1.0
  Zn  Zn1  3  0.0  0.0  -0.0  1.0
  Sn  Sn2  3  0.0  0.0  0.76  1.0

Ta Zn Sn
TaZnSn is alpha boron-derived structured and crystallizes in the trigonal R3m space group. Ta(1) is bonded in a hexagonal planar geometry to three equivalent Zn(1) and three equivalent Sn(1) atoms. All Ta(1)-Zn(1) bond lengths are 2.70 Å. All Ta(1)-Sn(1) bond lengths are 2.70 Å. Zn(1) is bonded to three equivalent Ta(1) and four equivalent Sn(1) atoms to form distorted ZnTa3Sn4 hexagonal pyramids that share corners with three equivalent Sn(1)Ta3Zn4 hexagonal pyramids, corners with six equivalent Zn(1)Ta3Sn4 hexagonal pyramids, edges with three equivalent Sn(1)Ta3Zn4 hexagonal pyramids, and edges with six equivalent Zn(1)Ta3Sn4 hexagonal pyramids. There is one shorter (2.73 Å) and three longer (2.84 Å) Zn(1)-Sn(1) bond lengths. Sn(1) is bonded to three equivalent Ta(1) and four equivalent Zn(1) atoms to form distorted SnTa3Zn4 hexagonal pyramids that share corners with three equivalent Zn(1)Ta3Sn4 hexagonal pyramids, corners with six equivalent Sn(1)Ta3Zn4 hexagonal pyramids, edges with three equivalent Zn(1)Ta3Sn4 hexagonal pyramids, and edges with six equivalent Sn(1)Ta3Zn4 hexagonal pyramids.