data_Y2AgHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.69
_cell_length_b   4.99
_cell_length_c   5.52
_cell_angle_alpha   90.0
_cell_angle_beta   96.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2AgHg
_chemical_formula_sum   'Y2 Ag1 Hg1'
_cell_volume   101.04
_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  Y2  1  0.92  0.0  0.93  1.0
  Y  Y3  1  0.74  0.5  0.9  1.0
  Ag  Ag0  1  0.95  0.0  0.44  1.0
  Hg  Hg1  1  0.01  0.5  0.43  1.0

data_Y2AgHg
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.69
_cell_length_b   4.99
_cell_length_c   5.52
_cell_angle_alpha   90.0
_cell_angle_beta   96.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Y2AgHg
_chemical_formula_sum   'Y2 Ag1 Hg1'
_cell_volume   101.04
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  Y0  1  0.74  0.5  0.9  1.0
  Y  Y1  1  0.92  0.0  0.93  1.0
  Ag  Ag2  1  0.95  0.0  0.44  1.0
  Hg  Hg3  1  0.01  0.5  0.43  1.0

Y Y Ag Hg
Y2AgHg crystallizes in the triclinic P1 space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 2-coordinate geometry to two equivalent Y(2) and two equivalent Ag(1) atoms. There is one shorter (2.57 Å) and one longer (2.60 Å) Y(1)-Y(2) bond length. There is one shorter (2.74 Å) and one longer (2.78 Å) Y(1)-Ag(1) bond length. In the second Y site, Y(2) is bonded in a 5-coordinate geometry to two equivalent Y(1) and three equivalent Hg(1) atoms. There are a spread of Y(2)-Hg(1) bond distances ranging from 2.92-3.55 Å. Ag(1) is bonded in a rectangular see-saw-like geometry to two equivalent Y(1) and two equivalent Hg(1) atoms. There is one shorter (2.50 Å) and one longer (2.52 Å) Ag(1)-Hg(1) bond length. Hg(1) is bonded in a 5-coordinate geometry to three equivalent Y(2) and two equivalent Ag(1) atoms.