data_BaTlCoTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   5.16
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTlCoTc
_chemical_formula_sum   'Ba1 Tl1 Co1 Tc1'
_cell_volume   97.4
_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  Ba0  1  0.83  0.83  0.83  1.0
  Tl  Tl3  1  0.65  0.65  0.65  1.0
  Co  Co1  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.48  0.48  0.48  1.0

data_BaTlCoTc
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   12.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   BaTlCoTc
_chemical_formula_sum   'Ba3 Tl3 Co3 Tc3'
_cell_volume   292.2
_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  0.17  1.0
  Tl  Tl1  3  0.0  0.0  0.35  1.0
  Co  Co2  3  0.0  0.0  0.0  1.0
  Tc  Tc3  3  0.0  0.0  0.52  1.0

Ba Tl Co Tc
Ba Tl Co Tc 0 1 o o o 0 2 + + + 1 3 o o o 
BaTcCoTl crystallizes in the trigonal R3m space group. Ba(1) is bonded to three equivalent Tc(1), one Co(1), and one Tl(1) atom to form distorted BaTlCoTc3 trigonal bipyramids that share corners with six equivalent Ba(1)TlCoTc3 trigonal bipyramids and  a cornercorner with one Tc(1)Ba3Tl trigonal pyramid. All Ba(1)-Tc(1) bond lengths are 2.99 Å. The Ba(1)-Co(1) bond length is 2.20 Å. The Ba(1)-Tl(1) bond length is 2.20 Å. Tc(1) is bonded to three equivalent Ba(1) and one Tl(1) atom to form TcBa3Tl trigonal pyramids that share  a cornercorner with one Ba(1)TlCoTc3 trigonal bipyramid and corners with six equivalent Tc(1)Ba3Tl trigonal pyramids. The Tc(1)-Tl(1) bond length is 2.20 Å. Co(1) is bonded in a distorted single-bond geometry to one Ba(1) atom. Tl(1) is bonded in a 2-coordinate geometry to one Ba(1) and one Tc(1) atom.