data_BaZnTcAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   5.19
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaZnTcAu
_chemical_formula_sum   'Ba1 Zn1 Tc1 Au1'
_cell_volume   98.98
_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
  Ba  Ba1  1  0.84  0.84  0.84  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.51  0.51  0.51  1.0
  Au  Au0  1  0.67  0.67  0.67  1.0

data_BaZnTcAu
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   12.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   BaZnTcAu
_chemical_formula_sum   'Ba3 Zn3 Tc3 Au3'
_cell_volume   296.95
_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
  Ba  Ba0  3  0.0  0.0  0.16  1.0
  Zn  Zn1  3  0.0  0.0  0.0  1.0
  Tc  Tc2  3  0.0  0.0  0.49  1.0
  Au  Au3  3  0.0  0.0  0.33  1.0

Ba Zn Tc Au
BaTcAuZn crystallizes in the trigonal R3m space group. Ba(1) is bonded in a 5-coordinate geometry to three equivalent Tc(1), one Au(1), and one Zn(1) atom. All Ba(1)-Tc(1) bond lengths are 3.00 Å. The Ba(1)-Au(1) bond length is 2.09 Å. The Ba(1)-Zn(1) bond length is 2.09 Å. Tc(1) is bonded to three equivalent Ba(1) and one Au(1) atom to form TcBa3Au trigonal pyramids that share corners with three equivalent Au(1)BaZn3Tc trigonal bipyramids, corners with six equivalent Tc(1)Ba3Au trigonal pyramids, and edges with three equivalent Zn(1)BaAu3 trigonal pyramids. The Tc(1)-Au(1) bond length is 2.09 Å. Au(1) is bonded to one Ba(1), one Tc(1), and three equivalent Zn(1) atoms to form distorted AuBaZn3Tc trigonal bipyramids that share corners with six equivalent Au(1)BaZn3Tc trigonal bipyramids,  a cornercorner with one Zn(1)BaAu3 trigonal pyramid, and corners with three equivalent Tc(1)Ba3Au trigonal pyramids. All Au(1)-Zn(1) bond lengths are 3.00 Å. Zn(1) is bonded to one Ba(1) and three equivalent Au(1) atoms to form distorted ZnBaAu3 trigonal pyramids that share  a cornercorner with one Au(1)BaZn3Tc trigonal bipyramid, corners with six equivalent Zn(1)BaAu3 trigonal pyramids, and edges with three equivalent Tc(1)Ba3Au trigonal pyramids.