data_Sc4TaCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.58
_cell_length_b   5.58
_cell_length_c   5.58
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc4TaCo
_chemical_formula_sum   'Sc4 Ta1 Co1'
_cell_volume   123.0
_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
  Sc  Sc1  1  0.93  0.93  0.97  1.0
  Sc  Sc2  1  0.93  0.97  0.93  1.0
  Sc  Sc3  1  0.97  0.93  0.93  1.0
  Sc  Sc4  1  0.97  0.97  0.97  1.0
  Ta  Ta5  1  0.92  0.92  0.92  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0

data_Sc4TaCo
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.58
_cell_length_b   5.58
_cell_length_c   13.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Sc4TaCo
_chemical_formula_sum   'Sc12 Ta3 Co3'
_cell_volume   368.99
_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
  Sc  Sc0  9  0.01  0.02  0.06  1.0
  Sc  Sc1  3  0.0  0.0  0.03  1.0
  Ta  Ta2  3  0.0  0.0  0.08  1.0
  Co  Co3  3  0.0  0.0  1.0  1.0

Sc Sc Sc Sc Ta Co
Sc4TaCo is Copper structured and crystallizes in the trigonal R3m space group. The structure is zero-dimensional and consists of three Sc4TaCo clusters. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 4-coordinate geometry to one Sc(2), two equivalent Sc(1), and one Ta(1) atom. The Sc(1)-Sc(2) bond length is 0.35 Å. Both Sc(1)-Sc(1) bond lengths are 0.20 Å. The Sc(1)-Ta(1) bond length is 0.30 Å. In the second Sc site, Sc(2) is bonded in a single-bond geometry to three equivalent Sc(1) and one Co(1) atom. The Sc(2)-Co(1) bond length is 0.47 Å. Ta(1) is bonded in a 3-coordinate geometry to three equivalent Sc(1) atoms. Co(1) is bonded in a single-bond geometry to one Sc(2) atom.