data_ScTiCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.7
_cell_length_b   3.98
_cell_length_c   4.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTiCu2
_chemical_formula_sum   'Sc1 Ti1 Cu2'
_cell_volume   64.26
_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  Sc2  1  0.0  0.0  0.0  1.0
  Ti  Ti3  1  0.0  0.99  0.18  1.0
  Cu  Cu0  1  0.85  0.99  0.0  1.0
  Cu  Cu1  1  0.85  0.0  0.18  1.0

data_ScTiCu2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.7
_cell_length_b   3.98
_cell_length_c   4.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   ScTiCu2
_chemical_formula_sum   'Sc1 Ti1 Cu2'
_cell_volume   64.26
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.0  0.0  1.0
  Ti  Ti1  1  -0.0  0.0  0.18  1.0
  Cu  Cu2  1  0.85  0.0  0.0  1.0
  Cu  Cu3  1  0.85  0.0  0.18  1.0

Sc Ti Cu Cu
ScTiCu2 is alpha Po structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one ScTiCu2 cluster. Sc(1) is bonded in a distorted L-shaped geometry to one Ti(1) and one Cu(1) atom. The Sc(1)-Ti(1) bond length is 0.80 Å. The Sc(1)-Cu(1) bond length is 0.56 Å. Ti(1) is bonded in an L-shaped geometry to one Sc(1) and one Cu(2) atom. The Ti(1)-Cu(2) bond length is 0.56 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted single-bond geometry to one Sc(1) atom. In the second Cu site, Cu(2) is bonded in a distorted single-bond geometry to one Ti(1) atom.