data_Ga2ReHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.81
_cell_length_b   4.82
_cell_length_c   5.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2ReHg
_chemical_formula_sum   'Ga2 Re1 Hg1'
_cell_volume   70.24
_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
  Ga  Ga0  1  0.4  0.0  0.59  1.0
  Ga  Ga1  1  0.0  0.0  0.0  1.0
  Re  Re3  1  0.4  0.41  0.0  1.0
  Hg  Hg2  1  0.0  0.41  0.59  1.0

data_Ga2ReHg
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   4.82
_cell_length_c   5.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2ReHg
_chemical_formula_sum   'Ga2 Re1 Hg1'
_cell_volume   70.24
_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
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  Ga  Ga1  1  0.4  0.0  0.59  1.0
  Re  Re2  1  0.4  0.41  -0.0  1.0
  Hg  Hg3  1  0.0  0.41  0.59  1.0

Ga Ga Re Hg
Ga Ga Re Hg 0 1 o o + 0 1 + o + 0 3 o o o 0 3 + o o 0 0 + o o 0 2 o o + 1 2 - o o 1 2 o o o 1 1 + o o 1 3 o o - 2 3 o o - 2 3 + o - 2 2 + o o 3 3 + o o 
ReHgGa2 crystallizes in the triclinic P1 space group. Re(1) is bonded in a 2-coordinate geometry to four equivalent Hg(1) and one Ga(2) atom. There are a spread of Re(1)-Hg(1) bond distances ranging from 2.40-3.50 Å. The Re(1)-Ga(2) bond length is 2.28 Å. Hg(1) is bonded in a 11-coordinate geometry to four equivalent Re(1), two equivalent Hg(1), one Ga(2), and four equivalent Ga(1) atoms. Both Hg(1)-Hg(1) bond lengths are 2.81 Å. The Hg(1)-Ga(2) bond length is 2.89 Å. There are a spread of Hg(1)-Ga(1) bond distances ranging from 2.28-3.30 Å. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 1-coordinate geometry to four equivalent Hg(1) atoms. In the second Ga site, Ga(2) is bonded in a 1-coordinate geometry to one Re(1) and one Hg(1) atom.