data_Hg2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.03
_cell_length_b   6.03
_cell_length_c   6.03
_cell_angle_alpha   107.97
_cell_angle_beta   107.97
_cell_angle_gamma   112.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2Sb
_chemical_formula_sum   'Hg4 Sb2'
_cell_volume   168.1
_cell_formula_units_Z   2
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
  Hg  Hg0  1  0.07  0.47  0.0  1.0
  Hg  Hg1  1  0.47  0.07  0.35  1.0
  Hg  Hg2  1  0.62  0.07  0.0  1.0
  Hg  Hg3  1  0.93  0.47  0.35  1.0
  Sb  Sb4  1  0.0  0.0  0.02  1.0
  Sb  Sb5  1  0.0  0.0  0.67  1.0

data_Hg2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.03
_cell_length_b   6.03
_cell_length_c   6.03
_cell_angle_alpha   107.97
_cell_angle_beta   107.97
_cell_angle_gamma   112.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2Sb
_chemical_formula_sum   'Hg4 Sb2'
_cell_volume   168.1
_cell_formula_units_Z   2
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
  Hg  Hg0  1  0.07  0.47  0.0  1.0
  Hg  Hg1  1  0.47  0.07  0.35  1.0
  Hg  Hg2  1  0.62  0.07  -0.0  1.0
  Hg  Hg3  1  0.93  0.47  0.35  1.0
  Sb  Sb4  1  0.0  0.0  0.02  1.0
  Sb  Sb5  1  0.0  0.0  0.67  1.0

Hg Hg Hg Hg Sb Sb
Hg Hg Hg Hg Sb Sb 0 2 - o o 0 3 - o o 0 5 o o - 0 4 o o o 0 1 o + o 1 4 o o o 1 3 o o o 1 2 o o o 2 4 + o o 2 3 o o o 4 5 o o - 
Hg2Sb is Brookite-like structured and crystallizes in the triclinic P1 space group. There are four inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a 6-coordinate geometry to one Hg(2), one Hg(3), one Hg(4), one Sb(2), and two equivalent Sb(1) atoms. The Hg(1)-Hg(2) bond length is 2.97 Å. The Hg(1)-Hg(3) bond length is 2.88 Å. The Hg(1)-Hg(4) bond length is 2.50 Å. The Hg(1)-Sb(2) bond length is 2.68 Å. There is one shorter (2.75 Å) and one longer (3.35 Å) Hg(1)-Sb(1) bond length. In the second Hg site, Hg(2) is bonded in a 5-coordinate geometry to one Hg(1), one Hg(3), one Hg(4), one Sb(1), and one Sb(2) atom. The Hg(2)-Hg(3) bond length is 2.50 Å. The Hg(2)-Hg(4) bond length is 2.88 Å. The Hg(2)-Sb(1) bond length is 2.68 Å. The Hg(2)-Sb(2) bond length is 3.45 Å. In the third Hg site, Hg(3) is bonded in a 3-coordinate geometry to one Hg(1), one Hg(2), one Hg(4), and one Sb(1) atom. The Hg(3)-Hg(4) bond length is 2.17 Å. The Hg(3)-Sb(1) bond length is 2.49 Å. In the fourth Hg site, Hg(4) is bonded in a 5-coordinate geometry to one Hg(1), one Hg(2), one Hg(3), one Sb(1), and one Sb(2) atom. The Hg(4)-Sb(1) bond length is 3.19 Å. The Hg(4)-Sb(2) bond length is 2.96 Å. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 6-coordinate geometry to one Hg(2), one Hg(3), one Hg(4), two equivalent Hg(1), and one Sb(2) atom. The Sb(1)-Sb(2) bond length is 2.09 Å. In the second Sb site, Sb(2) is bonded in a 3-coordinate geometry to one Hg(1), one Hg(2), one Hg(4), and one Sb(1) atom.