data_ScAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.58
_cell_length_b   5.58
_cell_length_c   8.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScAg2
_chemical_formula_sum   'Sc4 Ag8'
_cell_volume   239.61
_cell_formula_units_Z   4
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  Sc8  1  0.0  0.22  0.47  1.0
  Sc  Sc9  1  0.0  0.22  0.97  1.0
  Sc  Sc10  1  0.79  0.61  0.91  1.0
  Sc  Sc11  1  0.79  0.61  0.41  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0
  Ag  Ag1  1  0.0  0.0  0.44  1.0
  Ag  Ag2  1  0.0  0.65  0.66  1.0
  Ag  Ag3  1  0.64  0.01  0.66  1.0
  Ag  Ag4  1  0.43  0.83  0.22  1.0
  Ag  Ag5  1  0.36  0.01  0.66  1.0
  Ag  Ag6  1  0.15  0.83  0.22  1.0
  Ag  Ag7  1  0.79  0.18  0.22  1.0

data_ScAg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.58
_cell_length_b   5.58
_cell_length_c   8.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScAg2
_chemical_formula_sum   'Sc4 Ag8'
_cell_volume   239.61
_cell_formula_units_Z   4
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  0.22  0.47  1.0
  Sc  Sc1  1  -0.0  0.22  0.97  1.0
  Sc  Sc2  1  0.79  0.61  0.41  1.0
  Sc  Sc3  1  0.79  0.61  0.91  1.0
  Ag  Ag4  1  -0.0  0.65  0.66  1.0
  Ag  Ag5  1  0.0  0.0  0.0  1.0
  Ag  Ag6  1  0.0  0.0  0.44  1.0
  Ag  Ag7  1  0.15  0.83  0.22  1.0
  Ag  Ag8  1  0.36  0.01  0.66  1.0
  Ag  Ag9  1  0.43  0.83  0.22  1.0
  Ag  Ag10  1  0.64  0.01  0.66  1.0
  Ag  Ag11  1  0.79  0.18  0.22  1.0

Sc Sc Sc Sc Ag Ag Ag Ag Ag Ag Ag Ag
Ag2Sc crystallizes in the triclinic P1 space group. There are four inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a distorted single-bond geometry to one Ag(2), one Ag(3), one Ag(4), and one Ag(8) atom. The Sc(1)-Ag(2) bond length is 1.27 Å. The Sc(1)-Ag(3) bond length is 2.94 Å. The Sc(1)-Ag(4) bond length is 2.44 Å. The Sc(1)-Ag(8) bond length is 2.45 Å. In the second Sc site, Sc(2) is bonded in a distorted single-bond geometry to one Ag(1) and one Ag(8) atom. The Sc(2)-Ag(1) bond length is 1.27 Å. The Sc(2)-Ag(8) bond length is 2.45 Å. In the third Sc site, Sc(3) is bonded in a distorted water-like geometry to one Ag(1) and one Ag(3) atom. The Sc(3)-Ag(1) bond length is 2.05 Å. The Sc(3)-Ag(3) bond length is 2.45 Å. In the fourth Sc site, Sc(4) is bonded in a 1-coordinate geometry to one Ag(2), one Ag(3), one Ag(5), one Ag(7), and one Ag(8) atom. The Sc(4)-Ag(2) bond length is 1.90 Å. The Sc(4)-Ag(3) bond length is 2.45 Å. The Sc(4)-Ag(5) bond length is 3.29 Å. The Sc(4)-Ag(7) bond length is 2.44 Å. The Sc(4)-Ag(8) bond length is 2.94 Å. There are eight inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 2-coordinate geometry to one Sc(2) and one Sc(3) atom. In the second Ag site, Ag(2) is bonded in a distorted bent 150 degrees geometry to one Sc(1) and one Sc(4) atom. In the third Ag site, Ag(3) is bonded in a 4-coordinate geometry to one Sc(1), one Sc(3), one Sc(4), and one Ag(6) atom. The Ag(3)-Ag(6) bond length is 2.00 Å. In the fourth Ag site, Ag(4) is bonded in a 2-coordinate geometry to one Sc(1) and one Ag(6) atom. The Ag(4)-Ag(6) bond length is 1.56 Å. In the fifth Ag site, Ag(5) is bonded in a 3-coordinate geometry to one Sc(4), one Ag(7), and one Ag(8) atom. The Ag(5)-Ag(7) bond length is 1.56 Å. The Ag(5)-Ag(8) bond length is 2.00 Å. In the sixth Ag site, Ag(6) is bonded in a distorted bent 120 degrees geometry to one Ag(3) and one Ag(4) atom. In the seventh Ag site, Ag(7) is bonded in a 2-coordinate geometry to one Sc(4) and one Ag(5) atom. In the eighth Ag site, Ag(8) is bonded in a 4-coordinate geometry to one Sc(1), one Sc(2), one Sc(4), and one Ag(5) atom.