data_Sc2InCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.13
_cell_length_b   3.13
_cell_length_c   7.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   99.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2InCu
_chemical_formula_sum   'Sc2 In1 Cu1'
_cell_volume   75.89
_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  0.03  0.0  0.02  1.0
  Sc  Sc3  1  0.03  0.0  0.81  1.0
  In  In1  1  0.0  0.0  0.92  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0

data_Sc2InCu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   3.13
_cell_length_c   7.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   99.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2InCu
_chemical_formula_sum   'Sc2 In1 Cu1'
_cell_volume   75.89
_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  Sc0  1  0.03  0.0  0.02  1.0
  Sc  Sc1  1  0.03  0.0  0.81  1.0
  In  In2  1  0.0  0.0  0.92  1.0
  Cu  Cu3  1  0.0  0.0  0.0  1.0

Sc Sc In Cu
Sc2CuIn is Cyanogen Chloride-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Sc2CuIn cluster. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a single-bond geometry to one Cu(1) atom. The Sc(1)-Cu(1) bond length is 0.19 Å. In the second Sc site, Sc(2) is bonded in a single-bond geometry to one In(1) atom. The Sc(2)-In(1) bond length is 0.82 Å. Cu(1) is bonded in a distorted bent 150 degrees geometry to one Sc(1) and one In(1) atom. The Cu(1)-In(1) bond length is 0.65 Å. In(1) is bonded in a linear geometry to one Sc(2) and one Cu(1) atom.