data_Sc3Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.37
_cell_length_b   6.37
_cell_length_c   5.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc3Ta
_chemical_formula_sum   'Sc6 Ta2'
_cell_volume   176.27
_cell_formula_units_Z   2
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  Sc0  1  0.0  0.9  0.76  1.0
  Sc  Sc1  1  0.18  0.61  0.25  1.0
  Sc  Sc2  1  0.54  0.57  0.76  1.0
  Sc  Sc3  1  0.65  0.95  0.25  1.0
  Sc  Sc4  1  0.46  0.57  0.76  1.0
  Sc  Sc5  1  0.72  0.95  0.25  1.0
  Ta  Ta6  1  0.18  0.84  0.76  1.0
  Ta  Ta7  1  0.0  0.68  0.25  1.0

data_Sc3Ta
_symmetry_space_group_name_H-M   P2_1/m
_cell_length_a   6.37
_cell_length_b   5.02
_cell_length_c   6.37
_cell_angle_alpha   90.0
_cell_angle_beta   120.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   11
_chemical_formula_structural   Sc3Ta
_chemical_formula_sum   'Sc6 Ta2'
_cell_volume   176.27
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-x, y+1/2, -z'
  4  'x, -y+1/2, 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  Sc0  2  0.09  0.25  0.36  1.0
  Sc  Sc1  2  0.37  0.75  0.31  1.0
  Sc  Sc2  2  0.45  0.75  0.31  1.0
  Ta  Ta3  2  0.09  0.75  0.58  1.0

Sc Sc Sc Sc Sc Sc Ta Ta
(Sc)2ScTa is alpha structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two scandium molecules and two ScTa clusters. In each ScTa cluster, Sc(1) is bonded in a single-bond geometry to one Ta(1) atom. The Sc(1)-Ta(1) bond length is 1.42 Å. Ta(1) is bonded in a single-bond geometry to one Sc(1) atom.