data_Sc2CuAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.61
_cell_length_b   5.61
_cell_length_c   5.61
_cell_angle_alpha   139.71
_cell_angle_beta   139.71
_cell_angle_gamma   58.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2CuAs
_chemical_formula_sum   'Sc2 Cu1 As1'
_cell_volume   73.3
_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  0.93  0.45  1.0
  Sc  Sc3  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.0  0.0  0.9  1.0
  As  As0  1  0.93  0.0  0.45  1.0

data_Sc2CuAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.87
_cell_length_b   3.87
_cell_length_c   5.61
_cell_angle_alpha   110.15
_cell_angle_beta   110.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2CuAs
_chemical_formula_sum   'Sc2 Cu1 As1'
_cell_volume   73.3
_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  0.0  0.0  0.0  1.0
  Sc  Sc1  1  0.48  0.93  0.48  1.0
  Cu  Cu2  1  0.1  0.0  0.1  1.0
  As  As3  1  0.55  0.0  0.48  1.0

Sc Sc Cu As
ScCuScAs is Cubic alpha N2-derived structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one arsenic;scandium molecule and one ScCu cluster. In the ScCu cluster, Sc(2) is bonded in a single-bond geometry to one Cu(1) atom. The Sc(2)-Cu(1) bond length is 0.55 Å. Cu(1) is bonded in a single-bond geometry to one Sc(2) atom.