data_TaGe4W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26
_cell_length_b   5.26
_cell_length_c   5.26
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaGe4W
_chemical_formula_sum   'Ta1 Ge4 W1'
_cell_volume   103.05
_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
  Ta  Ta4  1  0.0  0.0  0.0  1.0
  Ge  Ge0  1  0.79  0.79  0.65  1.0
  Ge  Ge1  1  0.79  0.65  0.79  1.0
  Ge  Ge2  1  0.65  0.79  0.79  1.0
  Ge  Ge3  1  0.65  0.65  0.65  1.0
  W  W5  1  0.86  0.86  0.86  1.0

data_TaGe4W
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.26
_cell_length_b   5.26
_cell_length_c   12.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   TaGe4W
_chemical_formula_sum   'Ta3 Ge12 W3'
_cell_volume   309.14
_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
  Ta  Ta0  3  0.0  0.0  0.0  1.0
  Ge  Ge1  9  0.09  0.05  0.26  1.0
  Ge  Ge2  3  0.0  0.0  0.35  1.0
  W  W3  3  0.0  0.0  0.14  1.0

Ta Ge Ge Ge Ge W
TaWGe4 crystallizes in the trigonal R3m space group. Ta(1) is bonded in a distorted single-bond geometry to one W(1), three equivalent Ge(1), and three equivalent Ge(2) atoms. The Ta(1)-W(1) bond length is 1.80 Å. All Ta(1)-Ge(1) bond lengths are 2.80 Å. All Ta(1)-Ge(2) bond lengths are 3.04 Å. W(1) is bonded in a distorted single-bond geometry to one Ta(1), three equivalent Ge(1), and three equivalent Ge(2) atoms. All W(1)-Ge(1) bond lengths are 1.56 Å. All W(1)-Ge(2) bond lengths are 3.43 Å. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 5-coordinate geometry to one Ta(1), one W(1), one Ge(2), and two equivalent Ge(1) atoms. The Ge(1)-Ge(2) bond length is 1.28 Å. Both Ge(1)-Ge(1) bond lengths are 0.74 Å. In the second Ge site, Ge(2) is bonded in a 9-coordinate geometry to three equivalent Ta(1), three equivalent W(1), and three equivalent Ge(1) atoms.