data_Sc2GaAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.32
_cell_length_b   3.32
_cell_length_c   7.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2GaAg
_chemical_formula_sum   'Sc2 Ga1 Ag1'
_cell_volume   78.47
_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  0.66  0.66  0.73  1.0
  Sc  Sc3  1  0.66  0.66  0.37  1.0
  Ga  Ga1  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.0  0.0  0.55  1.0

data_Sc2GaAg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.7
_cell_length_b   4.7
_cell_length_c   7.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sc2GaAg
_chemical_formula_sum   'Sc4 Ga2 Ag2'
_cell_volume   156.95
_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  0.16  0.5  0.37  1.0
  Sc  Sc1  2  0.16  0.5  0.73  1.0
  Ga  Ga2  2  0.0  0.0  0.0  1.0
  Ag  Ag3  2  0.0  0.0  0.55  1.0

Sc Sc Ga Ag
Sc Sc Ga Ag 0 3 + + o 0 1 o o o 0 2 + + + 0 2 + o + 0 2 o + + 1 3 + + o 1 2 + + o 2 2 + o o 2 2 o + o 2 3 o o - 
Sc2AgGa crystallizes in the monoclinic Cm space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 1-coordinate geometry to one Ag(1) and three equivalent Ga(1) atoms. The Sc(1)-Ag(1) bond length is 2.04 Å. There is one shorter (2.48 Å) and two longer (3.12 Å) Sc(1)-Ga(1) bond lengths. In the second Sc site, Sc(2) is bonded in a distorted single-bond geometry to one Ag(1) and one Ga(1) atom. The Sc(2)-Ag(1) bond length is 2.04 Å. The Sc(2)-Ga(1) bond length is 3.09 Å. Ag(1) is bonded in a 2-coordinate geometry to one Sc(1) and one Sc(2) atom. Ga(1) is bonded in a 4-coordinate geometry to one Sc(2) and three equivalent Sc(1) atoms.