data_ZrTlInTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.82
_cell_length_b   4.82
_cell_length_c   4.82
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTlInTc
_chemical_formula_sum   'Zr1 Tl1 In1 Tc1'
_cell_volume   79.17
_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
  Zr  Zr3  1  0.0  0.0  0.0  1.0
  Tl  Tl2  1  0.11  0.11  0.11  1.0
  In  In0  1  0.7  0.7  0.7  1.0
  Tc  Tc1  1  0.41  0.41  0.41  1.0

data_ZrTlInTc
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.82
_cell_length_b   4.82
_cell_length_c   11.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   ZrTlInTc
_chemical_formula_sum   'Zr3 Tl3 In3 Tc3'
_cell_volume   237.52
_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
  Zr  Zr0  3  0.0  0.0  0.0  1.0
  Tl  Tl1  3  0.0  0.0  0.89  1.0
  In  In2  3  0.0  0.0  0.3  1.0
  Tc  Tc3  3  0.0  0.0  0.59  1.0

Zr Tl In Tc
ZrTcTlIn crystallizes in the trigonal R3m space group. Zr(1) is bonded in a single-bond geometry to three equivalent Tc(1), one Tl(1), and four equivalent In(1) atoms. All Zr(1)-Tc(1) bond lengths are 2.92 Å. The Zr(1)-Tl(1) bond length is 1.32 Å. There are three shorter (2.82 Å) and one longer (3.49 Å) Zr(1)-In(1) bond length. Tc(1) is bonded in a 11-coordinate geometry to three equivalent Zr(1), four equivalent Tl(1), and four equivalent In(1) atoms. There are three shorter (2.82 Å) and one longer (3.49 Å) Tc(1)-Tl(1) bond length. There are three shorter (2.82 Å) and one longer (3.49 Å) Tc(1)-In(1) bond length. Tl(1) is bonded in a single-bond geometry to one Zr(1), four equivalent Tc(1), and three equivalent In(1) atoms. All Tl(1)-In(1) bond lengths are 2.92 Å. In(1) is bonded in a 11-coordinate geometry to four equivalent Zr(1), four equivalent Tc(1), and three equivalent Tl(1) atoms.