data_Sc2AgIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.2
_cell_length_b   3.2
_cell_length_c   7.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2AgIr
_chemical_formula_sum   'Sc2 Ag1 Ir1'
_cell_volume   74.53
_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  0.6  0.6  0.29  1.0
  Sc  Sc3  1  0.6  0.6  0.99  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.0  0.0  0.64  1.0

data_Sc2AgIr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.52
_cell_length_b   4.52
_cell_length_c   7.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sc2AgIr
_chemical_formula_sum   'Sc4 Ag2 Ir2'
_cell_volume   149.06
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.1  0.5  0.29  1.0
  Sc  Sc1  2  0.1  0.5  0.99  1.0
  Ag  Ag2  2  0.0  0.0  0.0  1.0
  Ir  Ir3  2  0.0  0.0  0.64  1.0

Sc Sc Ag Ir
Sc2IrAg crystallizes in the monoclinic Cm space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 13-coordinate geometry to one Sc(2), four equivalent Sc(1), four equivalent Ir(1), and four equivalent Ag(1) atoms. The Sc(1)-Sc(2) bond length is 2.19 Å. All Sc(1)-Sc(1) bond lengths are 3.20 Å. There are a spread of Sc(1)-Ir(1) bond distances ranging from 3.13-3.72 Å. There are a spread of Sc(1)-Ag(1) bond distances ranging from 2.80-3.45 Å. In the second Sc site, Sc(2) is bonded in a 3-coordinate geometry to one Sc(1) and three equivalent Ag(1) atoms. There is one shorter (1.81 Å) and two longer (2.31 Å) Sc(2)-Ag(1) bond lengths. Ir(1) is bonded in a 2-coordinate geometry to four equivalent Sc(1) and one Ag(1) atom. The Ir(1)-Ag(1) bond length is 2.60 Å. Ag(1) is bonded in a 3-coordinate geometry to three equivalent Sc(2), four equivalent Sc(1), and one Ir(1) atom.