data_Sc2AgCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.36
_cell_length_b   5.36
_cell_length_c   5.36
_cell_angle_alpha   140.95
_cell_angle_beta   115.45
_cell_angle_gamma   78.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2AgCl
_chemical_formula_sum   'Sc2 Ag1 Cl1'
_cell_volume   85.29
_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  0.86  0.32  1.0
  Sc  Sc3  1  0.79  0.0  0.84  1.0
  Ag  Ag0  1  0.0  0.0  0.16  1.0
  Cl  Cl1  1  0.0  0.0  0.0  1.0

data_Sc2AgCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.58
_cell_length_b   5.36
_cell_length_c   5.36
_cell_angle_alpha   64.55
_cell_angle_beta   70.48
_cell_angle_gamma   70.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2AgCl
_chemical_formula_sum   'Sc2 Ag1 Cl1'
_cell_volume   85.29
_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  0.05  0.79  0.16  1.0
  Sc  Sc1  1  0.32  -0.0  0.54  1.0
  Ag  Ag2  1  0.16  -0.0  0.84  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Sc Sc Ag Cl
Sc Sc Ag Cl 0 2 o + o 1 3 + o + 2 3 o o o 
Sc2AgCl crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Sc2AgCl cluster. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a single-bond geometry to one Ag(1) atom. The Sc(1)-Ag(1) bond length is 1.51 Å. In the second Sc site, Sc(2) is bonded in a single-bond geometry to one Cl(1) atom. The Sc(2)-Cl(1) bond length is 1.08 Å. Ag(1) is bonded in a 2-coordinate geometry to one Sc(1) and one Cl(1) atom. The Ag(1)-Cl(1) bond length is 0.87 Å. Cl(1) is bonded in a water-like geometry to one Sc(2) and one Ag(1) atom.