data_CrCoRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.89
_cell_length_b   3.89
_cell_length_c   3.89
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCoRu
_chemical_formula_sum   'Cr1 Co1 Ru1'
_cell_volume   41.52
_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
  Cr  Cr1  1  0.0  0.0  0.0  1.0
  Co  Co0  1  0.12  0.12  0.12  1.0
  Ru  Ru2  1  0.37  0.37  0.37  1.0

data_CrCoRu
_symmetry_space_group_name_H-M   R3m
_cell_length_a   3.89
_cell_length_b   3.89
_cell_length_c   9.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CrCoRu
_chemical_formula_sum   'Cr3 Co3 Ru3'
_cell_volume   124.55
_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
  Cr  Cr0  3  0.0  0.0  0.0  1.0
  Co  Co1  3  0.0  0.0  0.88  1.0
  Ru  Ru2  3  0.0  0.0  0.63  1.0

Cr Co Ru
Cr Co Ru 0 1 o o o 0 2 o o - 0 2 o - o 0 2 - o o 1 2 o o o 1 2 o o - 1 2 o - o 1 2 - o o 
CoCrRu crystallizes in the trigonal R3m space group. Cr(1) is bonded in a distorted single-bond geometry to three equivalent Ru(1) and one Co(1) atom. All Cr(1)-Ru(1) bond lengths are 2.28 Å. The Cr(1)-Co(1) bond length is 1.17 Å. Ru(1) is bonded to three equivalent Cr(1) and four equivalent Co(1) atoms to form a mixture of distorted edge and corner-sharing RuCr3Co4 hexagonal pyramids. There are three shorter (2.37 Å) and one longer (2.40 Å) Ru(1)-Co(1) bond length. Co(1) is bonded in a distorted single-bond geometry to one Cr(1) and four equivalent Ru(1) atoms.