data_GeRu4W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   5.07
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeRu4W
_chemical_formula_sum   'Ge1 Ru4 W1'
_cell_volume   92.25
_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
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  Ru  Ru1  1  0.48  0.48  0.69  1.0
  Ru  Ru2  1  0.48  0.69  0.48  1.0
  Ru  Ru3  1  0.69  0.48  0.48  1.0
  Ru  Ru4  1  0.69  0.69  0.69  1.0
  W  W5  1  0.38  0.38  0.38  1.0

data_GeRu4W
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   12.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   GeRu4W
_chemical_formula_sum   'Ge3 Ru12 W3'
_cell_volume   276.74
_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
  Ge  Ge0  3  0.0  0.0  0.0  1.0
  Ru  Ru1  9  0.07  0.14  0.45  1.0
  Ru  Ru2  3  0.0  0.0  0.31  1.0
  W  W3  3  0.0  0.0  0.62  1.0

Ge Ru Ru Ru Ru W
WRu4Ge crystallizes in the trigonal R3m space group. W(1) is bonded to three equivalent Ru(2), six equivalent Ru(1), and three equivalent Ge(1) atoms to form distorted WGe3Ru9 cuboctahedra that share corners with three equivalent Ge(1)Ru9W3 cuboctahedra, corners with six equivalent W(1)Ge3Ru9 cuboctahedra, edges with three equivalent Ge(1)Ru9W3 cuboctahedra, edges with six equivalent W(1)Ge3Ru9 cuboctahedra, and faces with three equivalent Ge(1)Ru9W3 cuboctahedra. All W(1)-Ru(2) bond lengths are 2.94 Å. There are three shorter (2.23 Å) and three longer (3.07 Å) W(1)-Ru(1) bond lengths. All W(1)-Ge(1) bond lengths are 2.98 Å. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a 2-coordinate geometry to two equivalent W(1), one Ru(2), two equivalent Ru(1), and two equivalent Ge(1) atoms. The Ru(1)-Ru(2) bond length is 1.79 Å. Both Ru(1)-Ru(1) bond lengths are 1.03 Å. Both Ru(1)-Ge(1) bond lengths are 3.03 Å. In the second Ru site, Ru(2) is bonded in a 9-coordinate geometry to three equivalent W(1), three equivalent Ru(1), and three equivalent Ge(1) atoms. All Ru(2)-Ge(1) bond lengths are 2.94 Å. Ge(1) is bonded to three equivalent W(1), three equivalent Ru(2), and six equivalent Ru(1) atoms to form distorted GeRu9W3 cuboctahedra that share corners with three equivalent W(1)Ge3Ru9 cuboctahedra, edges with three equivalent W(1)Ge3Ru9 cuboctahedra, faces with three equivalent W(1)Ge3Ru9 cuboctahedra, and faces with six equivalent Ge(1)Ru9W3 cuboctahedra.