data_ScFe2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   4.89
_cell_angle_alpha   132.9
_cell_angle_beta   132.9
_cell_angle_gamma   68.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScFe2Ag
_chemical_formula_sum   'Sc1 Fe2 Ag1'
_cell_volume   61.68
_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  0.0  0.0  0.0  1.0
  Fe  Fe1  1  0.0  0.0  0.04  1.0
  Fe  Fe2  1  0.0  0.95  0.02  1.0
  Ag  Ag0  1  0.95  0.0  0.02  1.0

data_ScFe2Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.91
_cell_length_b   3.91
_cell_length_c   4.89
_cell_angle_alpha   113.55
_cell_angle_beta   113.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScFe2Ag
_chemical_formula_sum   'Sc1 Fe2 Ag1'
_cell_volume   61.68
_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
  Fe  Fe1  1  0.04  0.04  0.04  1.0
  Fe  Fe2  1  0.06  0.02  0.06  1.0
  Ag  Ag3  1  0.02  0.06  0.06  1.0

Sc Fe Fe Ag
Sc Fe Fe Ag 0 1 o o o 1 3 - o o 1 2 o - o 
ScFe2Ag crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one ScFe2Ag cluster. Sc(1) is bonded in a single-bond geometry to one Fe(1) atom. The Sc(1)-Fe(1) bond length is 0.18 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a distorted trigonal non-coplanar geometry to one Sc(1), one Fe(2), and one Ag(1) atom. The Fe(1)-Fe(2) bond length is 0.17 Å. The Fe(1)-Ag(1) bond length is 0.17 Å. In the second Fe site, Fe(2) is bonded in a single-bond geometry to one Fe(1) atom. Ag(1) is bonded in a single-bond geometry to one Fe(1) atom.