The compound described by Ag3AuSeS crystallizes in the cubic I2_13 space group. Au(1) is bonded in a 8-coordinate geometry to three equivalent Ag(1), three equivalent Ag(2), one Se(1), and one S(1) atom. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 6-coordinate geometry to two equivalent Au(1), two equivalent Se(1), and two equivalent S(1) atoms. In the second Ag site, Ag(2) is bonded in a 6-coordinate geometry to two equivalent Au(1), two equivalent Se(1), and two equivalent S(1) atoms. Se(1) is bonded to one Au(1), three equivalent Ag(1), and three equivalent Ag(2) atoms to form distorted SeAg6Au hexagonal pyramids that share  a cornercorner with one S(1)Ag6Au hexagonal pyramid, corners with six equivalent Se(1)Ag6Au hexagonal pyramids, and edges with six equivalent S(1)Ag6Au hexagonal pyramids. S(1) is bonded to one Au(1), three equivalent Ag(1), and three equivalent Ag(2) atoms to form distorted SAg6Au hexagonal pyramids that share  a cornercorner with one Se(1)Ag6Au hexagonal pyramid, corners with six equivalent S(1)Ag6Au hexagonal pyramids, and edges with six equivalent Se(1)Ag6Au hexagonal pyramids. is represented by the CIF file [CIF]
data_Ag3AuSeS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.663
_cell_length_b   8.663
_cell_length_c   8.663
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   500.546
_cell_formula_units_Z   4
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
  Ag  Ag0  1  0.250  0.631  0.381  1.0
  Ag  Ag1  1  0.750  0.869  0.119  1.0
  Ag  Ag2  1  0.250  0.123  0.873  1.0
  Ag  Ag3  1  0.750  0.377  0.627  1.0
  Ag  Ag4  1  0.869  0.119  0.750  1.0
  Ag  Ag5  1  0.631  0.381  0.250  1.0
  Ag  Ag6  1  0.377  0.627  0.750  1.0
  Ag  Ag7  1  0.123  0.873  0.250  1.0
  Ag  Ag8  1  0.381  0.250  0.631  1.0
  Ag  Ag9  1  0.119  0.750  0.869  1.0
  Ag  Ag10  1  0.873  0.250  0.123  1.0
  Ag  Ag11  1  0.627  0.750  0.377  1.0
  Au  Au12  1  0.245  0.245  0.245  1.0
  Au  Au13  1  0.255  0.500  0.000  1.0
  Au  Au14  1  0.000  0.255  0.500  1.0
  Au  Au15  1  0.500  0.000  0.255  1.0
  Se  Se16  1  0.533  0.533  0.533  1.0
  Se  Se17  1  0.967  0.500  0.000  1.0
  Se  Se18  1  0.000  0.967  0.500  1.0
  Se  Se19  1  0.500  0.000  0.967  1.0
  S  S20  1  0.528  0.500  0.000  1.0
  S  S21  1  0.972  0.972  0.972  1.0
  S  S22  1  0.000  0.528  0.500  1.0
  S  S23  1  0.500  0.000  0.528  1.0
[/CIF]
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The compound described by Ag3AuSeS crystallizes in the cubic I2_13 space group. Au(1) is bonded in a 8-coordinate geometry to three equivalent Ag(1), three equivalent Ag(2), one Se(1), and one S(1) atom. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 6-coordinate geometry to two equivalent Au(1), two equivalent Se(1), and two equivalent S(1) atoms. In the second Ag site, Ag(2) is bonded in a 6-coordinate geometry to two equivalent Au(1), two equivalent Se(1), and two equivalent S(1) atoms. Se(1) is bonded to one Au(1), three equivalent Ag(1), and three equivalent Ag(2) atoms to form distorted SeAg6Au hexagonal pyramids that share  a cornercorner with one S(1)Ag6Au hexagonal pyramid, corners with six equivalent Se(1)Ag6Au hexagonal pyramids, and edges with six equivalent S(1)Ag6Au hexagonal pyramids. S(1) is bonded to one Au(1), three equivalent Ag(1), and three equivalent Ag(2) atoms to form distorted SAg6Au hexagonal pyramids that share  a cornercorner with one Se(1)Ag6Au hexagonal pyramid, corners with six equivalent S(1)Ag6Au hexagonal pyramids, and edges with six equivalent Se(1)Ag6Au hexagonal pyramids. is represented by the CIF file [CIF]
data_Ag3AuSeS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.663
_cell_length_b   8.663
_cell_length_c   8.663
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   500.546
_cell_formula_units_Z   4
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
  Ag  Ag0  1  0.250  0.631  0.381  1.0
  Ag  Ag1  1  0.750  0.869  0.119  1.0
  Ag  Ag2  1  0.250  0.123  0.873  1.0
  Ag  Ag3  1  0.750  0.377  0.627  1.0
  Ag  Ag4  1  0.869  0.119  0.750  1.0
  Ag  Ag5  1  0.631  0.381  0.250  1.0
  Ag  Ag6  1  0.377  0.627  0.750  1.0
  Ag  Ag7  1  0.123  0.873  0.250  1.0
  Ag  Ag8  1  0.381  0.250  0.631  1.0
  Ag  Ag9  1  0.119  0.750  0.869  1.0
  Ag  Ag10  1  0.873  0.250  0.123  1.0
  Ag  Ag11  1  0.627  0.750  0.377  1.0
  Au  Au12  1  0.245  0.245  0.245  1.0
  Au  Au13  1  0.255  0.500  0.000  1.0
  Au  Au14  1  0.000  0.255  0.500  1.0
  Au  Au15  1  0.500  0.000  0.255  1.0
  Se  Se16  1  0.533  0.533  0.533  1.0
  Se  Se17  1  0.967  0.500  0.000  1.0
  Se  Se18  1  0.000  0.967  0.500  1.0
  Se  Se19  1  0.500  0.000  0.967  1.0
  S  S20  1  0.528  0.500  0.000  1.0
  S  S21  1  0.972  0.972  0.972  1.0
  S  S22  1  0.000  0.528  0.500  1.0
  S  S23  1  0.500  0.000  0.528  1.0
[/CIF]
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