data_GaAg3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25
_cell_length_b   5.25
_cell_length_c   5.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaAg3
_chemical_formula_sum   'Ga2 Ag6'
_cell_volume   144.77
_cell_formula_units_Z   2
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
  Ga  Ga6  1  0.63  0.63  0.63  1.0
  Ga  Ga7  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.31  0.0  0.63  1.0
  Ag  Ag1  1  0.94  0.0  0.63  1.0
  Ag  Ag2  1  0.63  0.31  0.0  1.0
  Ag  Ag3  1  0.63  0.94  0.0  1.0
  Ag  Ag4  1  0.0  0.63  0.94  1.0
  Ag  Ag5  1  0.0  0.63  0.31  1.0

data_GaAg3
_symmetry_space_group_name_H-M   R3
_cell_length_a   7.43
_cell_length_b   7.43
_cell_length_c   9.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   GaAg3
_chemical_formula_sum   'Ga6 Ag18'
_cell_volume   434.3
_cell_formula_units_Z   6
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  'x+1/3, y+2/3, z+2/3'
  5  '-y+1/3, x-y+2/3, z+2/3'
  6  '-x+y+1/3, -x+2/3, z+2/3'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
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
  Ga  Ga0  3  0.0  0.0  0.0  1.0
  Ga  Ga1  3  0.0  0.0  0.63  1.0
  Ag  Ag2  9  0.0  0.69  0.31  1.0
  Ag  Ag3  9  0.08  0.23  0.85  1.0

Ga Ga Ag Ag Ag Ag Ag Ag
Ga Ga Ag Ag Ag Ag Ag Ag 0 2 o + o 0 4 o o + 0 7 + o o 0 3 o + o 0 5 o o + 0 6 + o o 1 5 - - o 1 3 - o - 1 6 o - - 2 3 - o o 4 5 o - o 6 7 o o + 
Ag3Ga crystallizes in the trigonal R3 space group. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 4-coordinate geometry to two equivalent Ag(2), one Ga(1), and one Ga(2) atom. There is one shorter (1.97 Å) and one longer (2.58 Å) Ag(1)-Ag(2) bond length. The Ag(1)-Ga(1) bond length is 2.56 Å. The Ag(1)-Ga(2) bond length is 2.56 Å. In the second Ag site, Ag(2) is bonded in a 1-coordinate geometry to two equivalent Ag(1), one Ga(1), and one Ga(2) atom. The Ag(2)-Ga(1) bond length is 2.56 Å. The Ag(2)-Ga(2) bond length is 1.99 Å. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a distorted hexagonal planar geometry to three equivalent Ag(1) and three equivalent Ag(2) atoms. In the second Ga site, Ga(2) is bonded in a 3-coordinate geometry to three equivalent Ag(1) and three equivalent Ag(2) atoms.