data_HfTcPdW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.55
_cell_length_b   4.55
_cell_length_c   4.55
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTcPdW
_chemical_formula_sum   'Hf1 Tc1 Pd1 W1'
_cell_volume   66.43
_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
  Hf  Hf0  1  0.82  0.82  0.82  1.0
  Tc  Tc2  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.61  0.61  0.61  1.0
  W  W3  1  0.21  0.21  0.21  1.0

data_HfTcPdW
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.55
_cell_length_b   4.55
_cell_length_c   11.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   HfTcPdW
_chemical_formula_sum   'Hf3 Tc3 Pd3 W3'
_cell_volume   199.3
_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
  Hf  Hf0  3  0.0  0.0  0.18  1.0
  Tc  Tc1  3  0.0  0.0  0.0  1.0
  Pd  Pd2  3  0.0  0.0  0.39  1.0
  W  W3  3  0.0  0.0  0.79  1.0

Hf Tc Pd W
Hf Tc Pd W 0 2 o o o 0 2 o + o 0 2 + o o 0 2 o o + 0 1 + + + 0 3 + + o 0 3 + o + 0 3 o + + 1 3 o o o 1 3 o o - 1 3 - o o 1 3 o - o 1 2 o - - 1 2 - o - 1 2 - - o 2 3 o o + 2 3 o + o 2 3 + o o 
HfWTcPd crystallizes in the trigonal R3m space group. Hf(1) is bonded in a 2-coordinate geometry to three equivalent W(1), one Tc(1), and one Pd(1) atom. All Hf(1)-W(1) bond lengths are 2.71 Å. The Hf(1)-Tc(1) bond length is 1.98 Å. The Hf(1)-Pd(1) bond length is 2.39 Å. W(1) is bonded in a 10-coordinate geometry to three equivalent Hf(1), four equivalent Tc(1), and three equivalent Pd(1) atoms. There is one shorter (2.39 Å) and three longer (2.94 Å) W(1)-Tc(1) bond lengths. All W(1)-Pd(1) bond lengths are 2.71 Å. Tc(1) is bonded in a 2-coordinate geometry to one Hf(1) and four equivalent W(1) atoms. Pd(1) is bonded in a distorted single-bond geometry to one Hf(1) and three equivalent W(1) atoms.