data_KSi3Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.75
_cell_length_b   4.75
_cell_length_c   4.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSi3Ru
_chemical_formula_sum   'K1 Si3 Ru1'
_cell_volume   107.18
_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
  K  K1  1  0.0  0.0  0.0  1.0
  Si  Si2  1  0.38  0.0  0.38  1.0
  Si  Si3  1  0.38  0.38  0.0  1.0
  Si  Si4  1  0.0  0.38  0.38  1.0
  Ru  Ru0  1  0.38  0.38  0.38  1.0

data_KSi3Ru
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.72
_cell_length_b   6.72
_cell_length_c   8.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   KSi3Ru
_chemical_formula_sum   'K3 Si9 Ru3'
_cell_volume   321.54
_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
  K  K0  3  0.0  0.0  0.0  1.0
  Si  Si1  9  0.08  0.54  0.92  1.0
  Ru  Ru2  3  0.0  0.0  0.38  1.0

K Si Si Si Ru
K Si Si Si Ru 0 3 o o o 0 2 o o o 0 1 o o o 1 4 o o o 2 4 o o o 3 4 o o o 
KRuSi3 crystallizes in the trigonal R3m space group. K(1) is bonded in a 9-coordinate geometry to nine equivalent Si(1) atoms. There are three shorter (2.52 Å) and six longer (3.46 Å) K(1)-Si(1) bond lengths. Ru(1) is bonded in a distorted octahedral geometry to three equivalent Si(1) atoms. All Ru(1)-Si(1) bond lengths are 1.78 Å. Si(1) is bonded in a 2-coordinate geometry to three equivalent K(1) and one Ru(1) atom.