data_GaCoNi
_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   GaCoNi
_chemical_formula_sum   'Ga1 Co1 Ni1'
_cell_volume   41.75
_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
  Ga  Ga1  1  0.75  0.75  0.75  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0
  Ni  Ni2  1  0.38  0.38  0.38  1.0

data_GaCoNi
_symmetry_space_group_name_H-M   R3m
_cell_length_a   3.89
_cell_length_b   3.89
_cell_length_c   9.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   GaCoNi
_chemical_formula_sum   'Ga3 Co3 Ni3'
_cell_volume   125.25
_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
  Ga  Ga0  3  0.0  0.0  0.25  1.0
  Co  Co1  3  0.0  0.0  0.0  1.0
  Ni  Ni2  3  0.0  0.0  0.62  1.0

Ga Co Ni
CoNiGa is alpha boron-derived structured and crystallizes in the trigonal R3m space group. Co(1) is bonded to three equivalent Ni(1) and four equivalent Ga(1) atoms to form distorted CoGa4Ni3 hexagonal pyramids that share corners with three equivalent Ga(1)Co4Ni3 hexagonal pyramids, corners with six equivalent Co(1)Ga4Ni3 hexagonal pyramids, edges with three equivalent Ga(1)Co4Ni3 hexagonal pyramids, and edges with six equivalent Co(1)Ga4Ni3 hexagonal pyramids. All Co(1)-Ni(1) bond lengths are 2.29 Å. There is one shorter (2.35 Å) and three longer (2.40 Å) Co(1)-Ga(1) bond lengths. Ni(1) is bonded in a hexagonal planar geometry to three equivalent Co(1) and three equivalent Ga(1) atoms. All Ni(1)-Ga(1) bond lengths are 2.29 Å. Ga(1) is bonded to four equivalent Co(1) and three equivalent Ni(1) atoms to form distorted GaCo4Ni3 hexagonal pyramids that share corners with three equivalent Co(1)Ga4Ni3 hexagonal pyramids, corners with six equivalent Ga(1)Co4Ni3 hexagonal pyramids, edges with three equivalent Co(1)Ga4Ni3 hexagonal pyramids, and edges with six equivalent Ga(1)Co4Ni3 hexagonal pyramids.