data_GaCoSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.9
_cell_length_b   4.9
_cell_length_c   4.9
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaCoSb2
_chemical_formula_sum   'Ga1 Co1 Sb2'
_cell_volume   83.02
_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  0.19  0.19  0.19  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.46  0.46  0.46  1.0
  Sb  Sb3  1  0.73  0.73  0.73  1.0

data_GaCoSb2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.9
_cell_length_b   4.9
_cell_length_c   11.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   GaCoSb2
_chemical_formula_sum   'Ga3 Co3 Sb6'
_cell_volume   249.05
_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  0.81  1.0
  Co  Co1  3  0.0  0.0  0.0  1.0
  Sb  Sb2  3  0.0  0.0  0.27  1.0
  Sb  Sb3  3  0.0  0.0  0.54  1.0

Ga Co Sb Sb
CoGaSb2 crystallizes in the trigonal R3m space group. Co(1) is bonded in a 1-coordinate geometry to four equivalent Ga(1), three equivalent Sb(1), and four equivalent Sb(2) atoms. There is one shorter (2.32 Å) and three longer (3.29 Å) Co(1)-Ga(1) bond lengths. All Co(1)-Sb(1) bond lengths are 3.22 Å. There are three shorter (2.93 Å) and one longer (3.22 Å) Co(1)-Sb(2) bond length. Ga(1) is bonded in a 11-coordinate geometry to four equivalent Co(1), three equivalent Sb(2), and four equivalent Sb(1) atoms. All Ga(1)-Sb(2) bond lengths are 3.22 Å. There are three shorter (2.93 Å) and one longer (3.22 Å) Ga(1)-Sb(1) bond length. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 11-coordinate geometry to three equivalent Co(1), four equivalent Ga(1), and four equivalent Sb(2) atoms. There are three shorter (2.93 Å) and one longer (3.22 Å) Sb(1)-Sb(2) bond length. In the second Sb site, Sb(2) is bonded in a 11-coordinate geometry to four equivalent Co(1), three equivalent Ga(1), and four equivalent Sb(1) atoms.