data_BaErAgS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.0
_cell_length_b   9.0
_cell_length_c   8.6
_cell_angle_alpha   102.67
_cell_angle_beta   102.67
_cell_angle_gamma   26.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaErAgS3
_chemical_formula_sum   'Ba2 Er2 Ag2 S6'
_cell_volume   298.23
_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
  Ba  Ba0  1  0.28  0.0  0.77  1.0
  Ba  Ba1  1  0.32  0.0  0.61  1.0
  Er  Er2  1  0.88  0.0  0.71  1.0
  Er  Er3  1  0.72  0.0  0.67  1.0
  Ag  Ag4  1  0.98  0.0  0.63  1.0
  Ag  Ag5  1  0.62  0.0  0.75  1.0
  S  S6  1  0.14  0.0  0.3  1.0
  S  S7  1  0.45  0.0  0.09  1.0
  S  S8  1  0.27  0.0  0.51  1.0
  S  S9  1  0.32  0.0  0.88  1.0
  S  S10  1  0.8  0.0  0.19  1.0
  S  S11  1  0.0  0.0  0.0  1.0

data_BaErAgS3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.06
_cell_length_b   8.6
_cell_length_c   9.0
_cell_angle_alpha   102.67
_cell_angle_beta   103.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaErAgS3
_chemical_formula_sum   'Ba2 Er2 Ag2 S6'
_cell_volume   298.23
_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
  Ba  Ba0  1  0.0  0.61  0.32  1.0
  Ba  Ba1  1  0.0  0.77  0.28  1.0
  Er  Er2  1  0.0  0.67  0.72  1.0
  Er  Er3  1  0.0  0.71  0.88  1.0
  Ag  Ag4  1  0.0  0.63  0.98  1.0
  Ag  Ag5  1  0.0  0.75  0.62  1.0
  S  S6  1  0.0  0.0  0.0  1.0
  S  S7  1  0.0  0.09  0.45  1.0
  S  S8  1  0.0  0.19  0.8  1.0
  S  S9  1  0.0  0.3  0.14  1.0
  S  S10  1  0.0  0.51  0.27  1.0
  S  S11  1  0.0  0.88  0.32  1.0

Ba Ba Er Er Ag Ag S S S S S S
Ba Ba Er Er Ag Ag S S S S S S 0 9 o o o 1 8 o o o 2 3 o o o 2 4 o o o 2 11 + o + 3 5 o o o 6 8 o o o 6 10 - o o 6 11 o o o 7 9 o o - 7 10 o o o 10 11 + o o 
BaErAgS3 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one BaEr2(AgS2)2 cluster and one BaS2 cluster. In the BaEr2(AgS2)2 cluster, Ba(2) is bonded in a single-bond geometry to one S(3) atom. The Ba(2)-S(3) bond length is 0.92 Å. There are two inequivalent Er sites. In the first Er site, Er(1) is bonded in a 3-coordinate geometry to one Er(2), one Ag(1), and one S(6) atom. The Er(1)-Er(2) bond length is 1.44 Å. The Er(1)-Ag(1) bond length is 1.20 Å. The Er(1)-S(6) bond length is 2.51 Å. In the second Er site, Er(2) is bonded in a distorted single-bond geometry to one Er(1) and one Ag(2) atom. The Er(2)-Ag(2) bond length is 1.20 Å. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a distorted single-bond geometry to one Er(1) atom. In the second Ag site, Ag(2) is bonded in a distorted single-bond geometry to one Er(2) atom. There are four inequivalent S sites. In the first S site, S(1) is bonded in a linear geometry to one S(3) and one S(6) atom. The S(1)-S(3) bond length is 1.92 Å. The S(1)-S(6) bond length is 2.60 Å. In the second S site, S(3) is bonded in a single-bond geometry to one Ba(2) and one S(1) atom. In the third S site, S(5) is bonded in a single-bond geometry to one S(6) atom. The S(5)-S(6) bond length is 2.70 Å. In the fourth S site, S(6) is bonded in a single-bond geometry to one Er(1), one S(1), and one S(5) atom. In the BaS2 cluster, Ba(1) is bonded in a single-bond geometry to one S(4) atom. The Ba(1)-S(4) bond length is 0.92 Å. There are two inequivalent S sites. In the first S site, S(4) is bonded in a single-bond geometry to one Ba(1) and one S(2) atom. The S(4)-S(2) bond length is 1.92 Å. In the second S site, S(2) is bonded in a single-bond geometry to one S(4) atom.