data_Sc2TaCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.28
_cell_length_b   4.28
_cell_length_c   4.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2TaCu
_chemical_formula_sum   'Sc2 Ta1 Cu1'
_cell_volume   74.76
_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  0.0  0.14  0.04  1.0
  Sc  Sc2  1  0.14  0.0  0.04  1.0
  Ta  Ta3  1  0.14  0.14  0.0  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0

data_Sc2TaCu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.05
_cell_length_b   6.05
_cell_length_c   4.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sc2TaCu
_chemical_formula_sum   'Sc4 Ta2 Cu2'
_cell_volume   149.53
_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+1/2, y+1/2, z'
  4  'x+1/2, -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  4  0.07  0.07  0.04  1.0
  Ta  Ta1  2  0.14  0.0  -0.0  1.0
  Cu  Cu2  2  0.0  0.0  0.0  1.0

Sc Sc Ta Cu
Sc2TaCu is alpha Po structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Sc2TaCu clusters. Sc(1) is bonded in an L-shaped geometry to one Ta(1) and one Cu(1) atom. The Sc(1)-Ta(1) bond length is 0.62 Å. The Sc(1)-Cu(1) bond length is 0.62 Å. Ta(1) is bonded in an L-shaped geometry to two equivalent Sc(1) atoms. Cu(1) is bonded in an L-shaped geometry to two equivalent Sc(1) atoms.