data_Sc3Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.96
_cell_length_b   5.96
_cell_length_c   5.49
_cell_angle_alpha   116.23
_cell_angle_beta   116.23
_cell_angle_gamma   31.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc3Cl
_chemical_formula_sum   'Sc3 Cl1'
_cell_volume   89.44
_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  0.49  0.0  0.44  1.0
  Sc  Sc2  1  0.3  0.0  0.81  1.0
  Sc  Sc3  1  0.67  0.0  0.07  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_Sc3Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.19
_cell_length_b   5.49
_cell_length_c   5.96
_cell_angle_alpha   116.23
_cell_angle_beta   105.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc3Cl
_chemical_formula_sum   'Sc3 Cl1'
_cell_volume   89.44
_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  0.07  0.67  1.0
  Sc  Sc1  1  0.0  0.44  0.49  1.0
  Sc  Sc2  1  0.0  0.81  0.3  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Sc Sc Sc Cl
Sc3Cl crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Sc3Cl cluster. There are three inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 1-coordinate geometry to one Cl(1) atom. The Sc(1)-Cl(1) bond length is 2.84 Å. In the second Sc site, Sc(2) is bonded in a distorted single-bond geometry to one Cl(1) atom. The Sc(2)-Cl(1) bond length is 2.42 Å. In the third Sc site, Sc(3) is bonded in a distorted single-bond geometry to one Cl(1) atom. The Sc(3)-Cl(1) bond length is 2.15 Å. Cl(1) is bonded in a 2-coordinate geometry to one Sc(1), one Sc(2), and one Sc(3) atom.