data_CrCoNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.79
_cell_length_b   3.79
_cell_length_c   3.79
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCoNi
_chemical_formula_sum   'Cr1 Co1 Ni1'
_cell_volume   38.52
_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  0.68  0.68  0.68  1.0
  Ni  Ni2  1  0.34  0.34  0.34  1.0

data_CrCoNi
_symmetry_space_group_name_H-M   R3m
_cell_length_a   3.79
_cell_length_b   3.79
_cell_length_c   9.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CrCoNi
_chemical_formula_sum   'Cr3 Co3 Ni3'
_cell_volume   115.56
_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  0.32  1.0
  Ni  Ni2  3  0.0  0.0  0.66  1.0

Cr Co Ni
Cr Co Ni 0 1 - - o 0 1 - o - 0 1 o - - 0 2 - o o 0 2 o - o 0 2 o o - 1 2 o o + 1 2 o + o 1 2 + o o 
CrCoNi crystallizes in the trigonal R3m space group. Cr(1) is bonded to four equivalent Co(1) and four equivalent Ni(1) atoms to form distorted edge-sharing CrCo4Ni4 hexagonal bipyramids. There are three shorter (2.19 Å) and one longer (2.97 Å) Cr(1)-Co(1) bond length. There are three shorter (2.19 Å) and one longer (3.16 Å) Cr(1)-Ni(1) bond length. Co(1) is bonded in a 8-coordinate geometry to four equivalent Cr(1) and four equivalent Ni(1) atoms. There are three shorter (2.19 Å) and one longer (3.16 Å) Co(1)-Ni(1) bond length. Ni(1) is bonded in a 8-coordinate geometry to four equivalent Cr(1) and four equivalent Co(1) atoms.