data_ScCu2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.76
_cell_length_b   3.76
_cell_length_c   4.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCu2Cl
_chemical_formula_sum   'Sc1 Cu2 Cl1'
_cell_volume   61.1
_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  Sc3  1  0.88  0.88  0.0  1.0
  Cu  Cu1  1  0.0  0.88  0.16  1.0
  Cu  Cu2  1  0.88  0.0  0.16  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_ScCu2Cl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.32
_cell_length_b   5.32
_cell_length_c   4.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ScCu2Cl
_chemical_formula_sum   'Sc2 Cu4 Cl2'
_cell_volume   122.2
_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  2  0.38  0.5  0.0  1.0
  Cu  Cu1  4  0.44  0.44  0.16  1.0
  Cl  Cl2  2  0.0  0.0  0.0  1.0

Sc Cu Cu Cl
ScCu2Cl is alpha Po structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two ScCu2Cl clusters. Sc(1) is bonded in a distorted single-bond geometry to two equivalent Cu(1) and one Cl(1) atom. Both Sc(1)-Cu(1) bond lengths are 0.82 Å. The Sc(1)-Cl(1) bond length is 0.63 Å. Cu(1) is bonded in a 3-coordinate geometry to one Sc(1), one Cu(1), and one Cl(1) atom. The Cu(1)-Cu(1) bond length is 0.63 Å. The Cu(1)-Cl(1) bond length is 0.82 Å. Cl(1) is bonded in a 3-coordinate geometry to one Sc(1) and two equivalent Cu(1) atoms.