data_YAg2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.52
_cell_length_b   3.52
_cell_length_c   8.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YAg2Br
_chemical_formula_sum   'Y1 Ag2 Br1'
_cell_volume   100.13
_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
  Y  Y3  1  0.76  0.76  0.24  1.0
  Ag  Ag0  1  0.0  0.0  0.04  1.0
  Ag  Ag1  1  0.76  0.76  0.42  1.0
  Br  Br2  1  0.0  0.0  0.41  1.0

data_YAg2Br
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   8.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YAg2Br
_chemical_formula_sum   'Y2 Ag4 Br2'
_cell_volume   200.25
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Y  Y0  2  0.26  0.5  0.24  1.0
  Ag  Ag1  2  0.0  0.0  0.04  1.0
  Ag  Ag2  2  0.26  0.5  0.42  1.0
  Br  Br3  2  0.0  0.0  0.41  1.0

Y Ag Ag Br
Y Ag Ag Br 0 2 o o o 0 1 + + o 2 3 + + o 
YAg2Br crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two YAg2Br clusters. Y(1) is bonded in a 3-coordinate geometry to one Ag(1), one Ag(2), and one Br(1) atom. The Y(1)-Ag(1) bond length is 1.96 Å. The Y(1)-Ag(2) bond length is 1.48 Å. The Y(1)-Br(1) bond length is 1.86 Å. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a single-bond geometry to one Y(1) atom. In the second Ag site, Ag(2) is bonded in a distorted L-shaped geometry to one Y(1) and one Br(1) atom. The Ag(2)-Br(1) bond length is 1.19 Å. Br(1) is bonded in a 1-coordinate geometry to one Y(1) and one Ag(2) atom.