data_BeGa2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.92
_cell_length_b   2.92
_cell_length_c   8.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeGa2Hg
_chemical_formula_sum   'Be1 Ga2 Hg1'
_cell_volume   71.51
_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  0.58  1.0
  Ga  Ga2  1  1.0  0.0  0.83  1.0
  Hg  Hg3  1  0.0  0.0  0.21  1.0

data_BeGa2Hg
_symmetry_space_group_name_H-M   Cmm2
_cell_length_a   4.0
_cell_length_b   4.25
_cell_length_c   8.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   35
_chemical_formula_structural   BeGa2Hg
_chemical_formula_sum   'Be2 Ga4 Hg2'
_cell_volume   143.02
_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
  Ga  Ga1  2  0.0  0.0  0.17  1.0
  Ga  Ga2  2  0.0  0.0  0.42  1.0
  Hg  Hg3  2  0.0  0.0  0.79  1.0

Be Ga Ga Hg
BeHgGa2 crystallizes in the orthorhombic Cmm2 space group. Be(1) is bonded in a linear geometry to one Hg(1) and one Ga(2) atom. The Be(1)-Hg(1) bond length is 1.75 Å. The Be(1)-Ga(2) bond length is 1.39 Å. Hg(1) is bonded in a single-bond geometry to one Be(1) and one Ga(1) atom. The Hg(1)-Ga(1) bond length is 3.14 Å. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to one Hg(1), one Ga(2), and four equivalent Ga(1) atoms to form a mixture of edge and corner-sharing GaGa5Hg octahedra. The corner-sharing octahedra are not tilted. The Ga(1)-Ga(2) bond length is 2.13 Å. All Ga(1)-Ga(1) bond lengths are 2.92 Å. In the second Ga site, Ga(2) is bonded in a single-bond geometry to one Be(1) and one Ga(1) atom.