data_NbGa4Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   5.08
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbGa4Co
_chemical_formula_sum   'Nb1 Ga4 Co1'
_cell_volume   92.59
_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
  Nb  Nb5  1  0.39  0.39  0.39  1.0
  Ga  Ga1  1  0.49  0.49  0.69  1.0
  Ga  Ga2  1  0.49  0.69  0.49  1.0
  Ga  Ga3  1  0.69  0.49  0.49  1.0
  Ga  Ga4  1  0.69  0.69  0.69  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0

data_NbGa4Co
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   12.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   NbGa4Co
_chemical_formula_sum   'Nb3 Ga12 Co3'
_cell_volume   277.78
_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
  Nb  Nb0  3  0.0  0.0  0.61  1.0
  Ga  Ga1  9  0.07  0.14  0.44  1.0
  Ga  Ga2  3  0.0  0.0  0.31  1.0
  Co  Co3  3  0.0  0.0  1.0  1.0

Nb Ga Ga Ga Ga Co
NbCoGa4 crystallizes in the trigonal R3m space group. Nb(1) is bonded to three equivalent Co(1), three equivalent Ga(2), and six equivalent Ga(1) atoms to form distorted NbGa9Co3 cuboctahedra that share corners with three equivalent Co(1)Nb3Ga9 cuboctahedra, corners with six equivalent Nb(1)Ga9Co3 cuboctahedra, edges with three equivalent Co(1)Nb3Ga9 cuboctahedra, edges with six equivalent Nb(1)Ga9Co3 cuboctahedra, and faces with three equivalent Co(1)Nb3Ga9 cuboctahedra. All Nb(1)-Co(1) bond lengths are 3.00 Å. All Nb(1)-Ga(2) bond lengths are 2.95 Å. There are three shorter (2.21 Å) and three longer (3.09 Å) Nb(1)-Ga(1) bond lengths. Co(1) is bonded to three equivalent Nb(1), three equivalent Ga(2), and six equivalent Ga(1) atoms to form distorted CoNb3Ga9 cuboctahedra that share corners with three equivalent Nb(1)Ga9Co3 cuboctahedra, edges with three equivalent Nb(1)Ga9Co3 cuboctahedra, faces with three equivalent Nb(1)Ga9Co3 cuboctahedra, and faces with six equivalent Co(1)Nb3Ga9 cuboctahedra. All Co(1)-Ga(2) bond lengths are 2.95 Å. All Co(1)-Ga(1) bond lengths are 3.01 Å. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 2-coordinate geometry to two equivalent Nb(1), two equivalent Co(1), one Ga(2), and two equivalent Ga(1) atoms. The Ga(1)-Ga(2) bond length is 1.79 Å. Both Ga(1)-Ga(1) bond lengths are 1.03 Å. In the second Ga site, Ga(2) is bonded in a 9-coordinate geometry to three equivalent Nb(1), three equivalent Co(1), and three equivalent Ga(1) atoms.