data_YSiRuW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.59
_cell_length_b   4.59
_cell_length_c   4.59
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YSiRuW
_chemical_formula_sum   'Y1 Si1 Ru1 W1'
_cell_volume   68.24
_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
  Y  Y0  1  0.62  0.62  0.62  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.24  0.24  0.24  1.0
  W  W1  1  0.87  0.87  0.87  1.0

data_YSiRuW
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.59
_cell_length_b   4.59
_cell_length_c   11.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   YSiRuW
_chemical_formula_sum   'Y3 Si3 Ru3 W3'
_cell_volume   204.72
_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
  Y  Y0  3  0.0  0.0  0.38  1.0
  Si  Si1  3  0.0  0.0  -0.0  1.0
  Ru  Ru2  3  0.0  0.0  0.76  1.0
  W  W3  3  0.0  0.0  0.13  1.0

Y Si Ru W
Y Si Ru W 0 3 o - o 0 3 - o o 0 3 o o - 0 3 o o o 0 2 o o + 0 2 o + o 0 2 + o o 0 1 o + + 0 1 + o + 0 1 + + o 1 3 - - - 1 2 o o o 1 2 o o - 1 2 - o o 1 2 o - o 2 3 - - o 2 3 - o - 2 3 o - - 
YWRuSi crystallizes in the trigonal R3m space group. Y(1) is bonded in a 10-coordinate geometry to four equivalent W(1), three equivalent Ru(1), and three equivalent Si(1) atoms. There is one shorter (2.74 Å) and three longer (2.83 Å) Y(1)-W(1) bond lengths. All Y(1)-Ru(1) bond lengths are 2.70 Å. All Y(1)-Si(1) bond lengths are 2.70 Å. W(1) is bonded in a distorted single-bond geometry to four equivalent Y(1), three equivalent Ru(1), and one Si(1) atom. All W(1)-Ru(1) bond lengths are 2.70 Å. The W(1)-Si(1) bond length is 1.52 Å. Ru(1) is bonded in a 10-coordinate geometry to three equivalent Y(1), three equivalent W(1), and four equivalent Si(1) atoms. There is one shorter (2.74 Å) and three longer (2.83 Å) Ru(1)-Si(1) bond lengths. Si(1) is bonded in a single-bond geometry to three equivalent Y(1), one W(1), and four equivalent Ru(1) atoms.