data_BeAg2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.0
_cell_length_b   3.0
_cell_length_c   7.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   96.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeAg2Hg
_chemical_formula_sum   'Be1 Ag2 Hg1'
_cell_volume   67.14
_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
  Be  Be2  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.01  0.0  0.05  1.0
  Ag  Ag1  1  0.01  0.0  0.43  1.0
  Hg  Hg3  1  0.0  0.0  0.74  1.0

data_BeAg2Hg
_symmetry_space_group_name_H-M   Cmm2
_cell_length_a   4.02
_cell_length_b   4.47
_cell_length_c   7.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   35
_chemical_formula_structural   BeAg2Hg
_chemical_formula_sum   'Be2 Ag4 Hg2'
_cell_volume   134.28
_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, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, z'
  7  '-x+1/2, y+1/2, z'
  8  '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
  Be  Be0  2  0.0  0.0  0.0  1.0
  Ag  Ag1  2  0.0  0.0  0.57  1.0
  Ag  Ag2  2  0.0  0.0  0.95  1.0
  Hg  Hg3  2  0.0  0.0  0.26  1.0

Be Ag Ag Hg
BeAg2Hg crystallizes in the triclinic P1 space group. Be(1) is bonded in a distorted single-bond geometry to one Ag(1) and one Hg(1) atom. The Be(1)-Ag(1) bond length is 0.35 Å. The Be(1)-Hg(1) bond length is 1.94 Å. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a single-bond geometry to one Be(1) and one Ag(2) atom. The Ag(1)-Ag(2) bond length is 2.90 Å. In the second Ag site, Ag(2) is bonded to one Ag(1), four equivalent Ag(2), and one Hg(1) atom to form a mixture of distorted corner and edge-sharing AgAg5Hg octahedra. The corner-sharing octahedra are not tilted. All Ag(2)-Ag(2) bond lengths are 3.00 Å. The Ag(2)-Hg(1) bond length is 2.29 Å. Hg(1) is bonded in a 2-coordinate geometry to one Be(1) and one Ag(2) atom.