data_Ga4CoAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   5.22
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga4CoAg
_chemical_formula_sum   'Ga4 Co1 Ag1'
_cell_volume   100.81
_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
  Ga  Ga2  1  0.62  0.62  0.77  1.0
  Ga  Ga3  1  0.62  0.77  0.62  1.0
  Ga  Ga4  1  0.77  0.62  0.62  1.0
  Ga  Ga5  1  0.77  0.77  0.77  1.0
  Co  Co1  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.54  0.54  0.54  1.0

data_Ga4CoAg
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   12.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Ga4CoAg
_chemical_formula_sum   'Ga12 Co3 Ag3'
_cell_volume   302.42
_cell_formula_units_Z   3
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  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+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  9  0.05  0.1  0.33  1.0
  Ga  Ga1  3  0.0  0.0  0.23  1.0
  Co  Co2  3  0.0  0.0  0.0  1.0
  Ag  Ag3  3  0.0  0.0  0.46  1.0

Ga Ga Ga Ga Co Ag
CoAgGa4 crystallizes in the trigonal R3m space group. Co(1) is bonded to one Ga(2) and six equivalent Ga(1) atoms to form distorted corner-sharing CoGa7 hexagonal pyramids. The Co(1)-Ga(2) bond length is 2.97 Å. All Co(1)-Ga(1) bond lengths are 2.82 Å. Ag(1) is bonded in a 3-coordinate geometry to three equivalent Ga(1) and three equivalent Ga(2) atoms. All Ag(1)-Ga(1) bond lengths are 1.70 Å. All Ag(1)-Ga(2) bond lengths are 3.31 Å. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 2-coordinate geometry to two equivalent Co(1), one Ag(1), one Ga(2), and two equivalent Ga(1) atoms. The Ga(1)-Ga(2) bond length is 1.34 Å. Both Ga(1)-Ga(1) bond lengths are 0.77 Å. In the second Ga site, Ga(2) is bonded in a 7-coordinate geometry to one Co(1), three equivalent Ag(1), and three equivalent Ga(1) atoms.