data_KSrVRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   5.16
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSrVRu
_chemical_formula_sum   'K1 Sr1 V1 Ru1'
_cell_volume   97.43
_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  K0  1  0.0  0.0  0.0  1.0
  Sr  Sr2  1  0.83  0.83  0.83  1.0
  V  V3  1  0.48  0.48  0.48  1.0
  Ru  Ru1  1  0.65  0.65  0.65  1.0

data_KSrVRu
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   12.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   KSrVRu
_chemical_formula_sum   'K3 Sr3 V3 Ru3'
_cell_volume   292.28
_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
  Sr  Sr1  3  0.0  0.0  0.17  1.0
  V  V2  3  0.0  0.0  0.52  1.0
  Ru  Ru3  3  0.0  0.0  0.35  1.0

K Sr V Ru
K Sr V Ru 0 1 - - - 1 3 o o o 2 3 o o o 
KSrVRu crystallizes in the trigonal R3m space group. K(1) is bonded to one Sr(1) and three equivalent Ru(1) atoms to form distorted KSrRu3 trigonal pyramids that share  a cornercorner with one Ru(1)K3SrV trigonal bipyramid and corners with six equivalent K(1)SrRu3 trigonal pyramids. The K(1)-Sr(1) bond length is 2.20 Å. All K(1)-Ru(1) bond lengths are 2.99 Å. Sr(1) is bonded in a 1-coordinate geometry to one K(1) and one Ru(1) atom. The Sr(1)-Ru(1) bond length is 2.20 Å. V(1) is bonded in a 1-coordinate geometry to one Ru(1) atom. The V(1)-Ru(1) bond length is 2.20 Å. Ru(1) is bonded to three equivalent K(1), one Sr(1), and one V(1) atom to form distorted RuK3SrV trigonal bipyramids that share corners with six equivalent Ru(1)K3SrV trigonal bipyramids and  a cornercorner with one K(1)SrRu3 trigonal pyramid.