data_ScAg2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.84
_cell_length_b   4.84
_cell_length_c   4.84
_cell_angle_alpha   119.63
_cell_angle_beta   119.63
_cell_angle_gamma   90.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScAg2Sn
_chemical_formula_sum   'Sc1 Ag2 Sn1'
_cell_volume   80.64
_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  0.0  0.0  1.0
  Ag  Ag0  1  0.0  0.0  0.4  1.0
  Ag  Ag1  1  0.0  0.43  0.7  1.0
  Sn  Sn3  1  0.43  0.0  0.7  1.0

data_ScAg2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.84
_cell_length_b   4.84
_cell_length_c   4.84
_cell_angle_alpha   90.64
_cell_angle_beta   119.63
_cell_angle_gamma   119.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScAg2Sn
_chemical_formula_sum   'Sc1 Ag2 Sn1'
_cell_volume   80.64
_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
  Ag  Ag1  1  0.4  0.0  0.0  1.0
  Ag  Ag2  1  0.7  0.0  0.43  1.0
  Sn  Sn3  1  0.7  0.43  0.0  1.0

Sc Ag Ag Sn
ScAg2Sn crystallizes in the triclinic P1 space group. Sc(1) is bonded in a 3-coordinate geometry to one Ag(2), two equivalent Ag(1), and one Sn(1) atom. The Sc(1)-Ag(2) bond length is 2.38 Å. There is one shorter (1.95 Å) and one longer (2.89 Å) Sc(1)-Ag(1) bond length. The Sc(1)-Sn(1) bond length is 2.38 Å. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 4-coordinate geometry to two equivalent Sc(1), one Ag(2), and one Sn(1) atom. The Ag(1)-Ag(2) bond length is 1.87 Å. The Ag(1)-Sn(1) bond length is 1.87 Å. In the second Ag site, Ag(2) is bonded in a 2-coordinate geometry to one Sc(1) and one Ag(1) atom. Sn(1) is bonded in a distorted linear geometry to one Sc(1) and one Ag(1) atom.