data_Si5W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.92
_cell_length_b   4.92
_cell_length_c   4.92
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si5W
_chemical_formula_sum   'Si5 W1'
_cell_volume   83.99
_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
  Si  Si0  1  0.0  0.0  0.0  1.0
  Si  Si1  1  0.6  0.6  0.6  1.0
  Si  Si2  1  0.35  0.6  0.35  1.0
  Si  Si3  1  0.35  0.35  0.6  1.0
  Si  Si4  1  0.6  0.35  0.35  1.0
  W  W5  1  0.21  0.21  0.21  1.0

data_Si5W
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.92
_cell_length_b   4.92
_cell_length_c   12.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Si5W
_chemical_formula_sum   'Si15 W3'
_cell_volume   251.98
_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
  Si  Si0  9  0.08  0.17  0.57  1.0
  Si  Si1  3  0.0  0.0  0.4  1.0
  Si  Si2  3  0.0  0.0  1.0  1.0
  W  W3  3  0.0  0.0  0.79  1.0

Si Si Si Si Si W
Si Si Si Si Si W 0 1 - - o 0 1 - o - 0 1 o - - 0 4 - o o 0 2 o - o 0 3 o o - 0 5 o o o 1 4 o o o 1 3 o o o 1 2 o o o 1 5 + o o 1 5 o + o 1 5 o o + 2 3 o o o 2 4 o o o 2 5 o + o 2 5 o o o 3 4 o o o 3 5 o o + 3 5 o o o 4 5 + o o 4 5 o o o 
WSi5 crystallizes in the trigonal R3m space group. W(1) is bonded in a 13-coordinate geometry to three equivalent Si(2), four equivalent Si(1), and six equivalent Si(3) atoms. All W(1)-Si(2) bond lengths are 2.91 Å. There is one shorter (2.58 Å) and three longer (3.18 Å) W(1)-Si(1) bond lengths. There are three shorter (2.53 Å) and three longer (2.75 Å) W(1)-Si(3) bond lengths. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 7-coordinate geometry to four equivalent W(1) and three equivalent Si(3) atoms. All Si(1)-Si(3) bond lengths are 2.45 Å. In the second Si site, Si(2) is bonded in a 6-coordinate geometry to three equivalent W(1) and three equivalent Si(3) atoms. All Si(2)-Si(3) bond lengths are 2.13 Å. In the third Si site, Si(3) is bonded in a 6-coordinate geometry to two equivalent W(1), one Si(1), one Si(2), and two equivalent Si(3) atoms. Both Si(3)-Si(3) bond lengths are 1.23 Å.