data_TlTcIrW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.56
_cell_length_b   4.56
_cell_length_c   4.56
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlTcIrW
_chemical_formula_sum   'Tl1 Tc1 Ir1 W1'
_cell_volume   67.07
_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
  Tl  Tl2  1  0.84  0.84  0.84  1.0
  Tc  Tc1  1  0.0  0.0  0.0  1.0
  Ir  Ir0  1  0.61  0.61  0.61  1.0
  W  W3  1  0.22  0.22  0.22  1.0

data_TlTcIrW
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.56
_cell_length_b   4.56
_cell_length_c   11.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   TlTcIrW
_chemical_formula_sum   'Tl3 Tc3 Ir3 W3'
_cell_volume   201.21
_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
  Tl  Tl0  3  0.0  0.0  0.16  1.0
  Tc  Tc1  3  0.0  0.0  0.0  1.0
  Ir  Ir2  3  0.0  0.0  0.39  1.0
  W  W3  3  0.0  0.0  0.78  1.0

Tl Tc Ir W
WTcIrTl crystallizes in the trigonal R3m space group. W(1) is bonded in a 10-coordinate geometry to four equivalent Tc(1), three equivalent Ir(1), and three equivalent Tl(1) atoms. There is one shorter (2.51 Å) and three longer (2.90 Å) W(1)-Tc(1) bond lengths. All W(1)-Ir(1) bond lengths are 2.70 Å. All W(1)-Tl(1) bond lengths are 2.70 Å. Tc(1) is bonded in a 1-coordinate geometry to four equivalent W(1), three equivalent Ir(1), and one Tl(1) atom. All Tc(1)-Ir(1) bond lengths are 2.70 Å. The Tc(1)-Tl(1) bond length is 1.82 Å. Ir(1) is bonded in a 10-coordinate geometry to three equivalent W(1), three equivalent Tc(1), and four equivalent Tl(1) atoms. There is one shorter (2.51 Å) and three longer (2.90 Å) Ir(1)-Tl(1) bond lengths. Tl(1) is bonded in a 1-coordinate geometry to three equivalent W(1), one Tc(1), and four equivalent Ir(1) atoms.