data_TcSb2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   4.76
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcSb2W
_chemical_formula_sum   'Tc1 Sb2 W1'
_cell_volume   76.05
_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
  Tc  Tc2  1  0.0  0.0  0.0  1.0
  Sb  Sb0  1  0.36  0.36  0.36  1.0
  Sb  Sb1  1  0.68  0.68  0.68  1.0
  W  W3  1  0.04  0.04  0.04  1.0

data_TcSb2W
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   11.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   TcSb2W
_chemical_formula_sum   'Tc3 Sb6 W3'
_cell_volume   228.14
_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
  Tc  Tc0  3  0.0  0.0  0.0  1.0
  Sb  Sb1  3  0.0  0.0  0.32  1.0
  Sb  Sb2  3  0.0  0.0  0.64  1.0
  W  W3  3  0.0  0.0  0.96  1.0

Tc Sb Sb W
WTcSb2 crystallizes in the trigonal R3m space group. W(1) is bonded in a single-bond geometry to one Tc(1), three equivalent Sb(2), and four equivalent Sb(1) atoms. The W(1)-Tc(1) bond length is 0.51 Å. All W(1)-Sb(2) bond lengths are 2.77 Å. There are three shorter (2.75 Å) and one longer (3.71 Å) W(1)-Sb(1) bond length. Tc(1) is bonded in a single-bond geometry to one W(1), three equivalent Sb(1), and three equivalent Sb(2) atoms. All Tc(1)-Sb(1) bond lengths are 2.77 Å. All Tc(1)-Sb(2) bond lengths are 2.75 Å. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 10-coordinate geometry to four equivalent W(1), three equivalent Tc(1), and three equivalent Sb(2) atoms. All Sb(1)-Sb(2) bond lengths are 2.75 Å. In the second Sb site, Sb(2) is bonded in a distorted q6 geometry to three equivalent W(1), three equivalent Tc(1), and three equivalent Sb(1) atoms.