data_BeGaHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.41
_cell_length_b   3.07
_cell_length_c   6.15
_cell_angle_alpha   90.0
_cell_angle_beta   109.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeGaHg2
_chemical_formula_sum   'Be1 Ga1 Hg2'
_cell_volume   78.87
_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  Be0  1  0.0  0.0  0.0  1.0
  Ga  Ga1  1  1.0  0.0  0.91  1.0
  Hg  Hg2  1  0.44  0.54  0.34  1.0
  Hg  Hg3  1  0.97  0.54  0.48  1.0

data_BeGaHg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   4.41
_cell_length_c   6.15
_cell_angle_alpha   109.01
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeGaHg2
_chemical_formula_sum   'Be1 Ga1 Hg2'
_cell_volume   78.87
_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  Be0  1  0.0  0.0  0.0  1.0
  Ga  Ga1  1  0.0  0.0  0.09  1.0
  Hg  Hg2  1  0.46  0.03  0.52  1.0
  Hg  Hg3  1  0.46  0.56  0.66  1.0

Be Ga Hg Hg
BeHg2Ga crystallizes in the triclinic P1 space group. Be(1) is bonded in a single-bond geometry to two equivalent Hg(1) and one Ga(1) atom. There is one shorter (2.73 Å) and one longer (2.85 Å) Be(1)-Hg(1) bond length. The Be(1)-Ga(1) bond length is 0.57 Å. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a 6-coordinate geometry to two equivalent Be(1), two equivalent Hg(1), and two equivalent Hg(2) atoms. Both Hg(1)-Hg(1) bond lengths are 3.07 Å. There is one shorter (2.22 Å) and one longer (2.50 Å) Hg(1)-Hg(2) bond length. In the second Hg site, Hg(2) is bonded in a 6-coordinate geometry to two equivalent Hg(1), two equivalent Hg(2), and two equivalent Ga(1) atoms. Both Hg(2)-Hg(2) bond lengths are 3.07 Å. There is one shorter (2.96 Å) and one longer (3.08 Å) Hg(2)-Ga(1) bond length. Ga(1) is bonded in a single-bond geometry to one Be(1) and two equivalent Hg(2) atoms.