data_AgCSeS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.48
_cell_length_b   4.48
_cell_length_c   4.48
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgCSeS
_chemical_formula_sum   'Ag1 C1 Se1 S1'
_cell_volume   63.69
_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
  Ag  Ag0  1  0.58  0.58  0.58  1.0
  C  C1  1  0.0  0.0  0.0  1.0
  Se  Se3  1  0.17  0.17  0.17  1.0
  S  S2  1  0.75  0.75  0.75  1.0

data_AgCSeS
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.48
_cell_length_b   4.48
_cell_length_c   10.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   AgCSeS
_chemical_formula_sum   'Ag3 C3 Se3 S3'
_cell_volume   191.06
_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
  Ag  Ag0  3  0.0  0.0  0.42  1.0
  C  C1  3  0.0  0.0  0.0  1.0
  Se  Se2  3  0.0  0.0  0.83  1.0
  S  S3  3  0.0  0.0  0.25  1.0

Ag C Se S
AgCSeS crystallizes in the trigonal R3m space group. Ag(1) is bonded in a distorted single-bond geometry to three equivalent C(1), three equivalent Se(1), and one S(1) atom. All Ag(1)-C(1) bond lengths are 2.74 Å. All Ag(1)-Se(1) bond lengths are 2.74 Å. The Ag(1)-S(1) bond length is 1.86 Å. C(1) is bonded to three equivalent Ag(1) and one Se(1) atom to form CAg3Se tetrahedra that share corners with three equivalent Se(1)Ag3CS3 tetrahedra, corners with six equivalent C(1)Ag3Se tetrahedra, and edges with three equivalent Se(1)Ag3CS3 tetrahedra. The C(1)-Se(1) bond length is 1.86 Å. Se(1) is bonded to three equivalent Ag(1), one C(1), and three equivalent S(1) atoms to form distorted SeAg3CS3 tetrahedra that share corners with three equivalent C(1)Ag3Se tetrahedra, edges with three equivalent C(1)Ag3Se tetrahedra, and edges with six equivalent Se(1)Ag3CS3 tetrahedra. All Se(1)-S(1) bond lengths are 2.74 Å. S(1) is bonded in a single-bond geometry to one Ag(1) and three equivalent Se(1) atoms.