data_Hg7Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.26
_cell_length_b   6.26
_cell_length_c   6.26
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg7Ru
_chemical_formula_sum   'Hg7 Ru1'
_cell_volume   173.8
_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
  Hg  Hg0  1  0.21  0.21  0.0  1.0
  Hg  Hg1  1  0.21  0.0  0.21  1.0
  Hg  Hg2  1  0.43  0.21  0.21  1.0
  Hg  Hg3  1  0.0  0.21  0.21  1.0
  Hg  Hg4  1  0.21  0.43  0.21  1.0
  Hg  Hg5  1  0.21  0.21  0.43  1.0
  Hg  Hg6  1  0.43  0.43  0.43  1.0
  Ru  Ru7  1  0.0  0.0  0.0  1.0

data_Hg7Ru
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.26
_cell_length_b   6.26
_cell_length_c   15.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Hg7Ru
_chemical_formula_sum   'Hg21 Ru3'
_cell_volume   521.39
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  9  0.07  0.14  0.71  1.0
  Hg  Hg1  9  0.14  0.07  0.86  1.0
  Hg  Hg2  3  0.0  0.0  0.57  1.0
  Ru  Ru3  3  0.0  0.0  0.0  1.0

Hg Hg Hg Hg Hg Hg Hg Ru
Hg Hg Hg Hg Hg Hg Hg Ru 0 1 o o o 0 3 o o o 0 7 o o o 1 3 o o o 1 7 o o o 2 5 o o o 2 4 o o o 2 6 o o o 3 7 o o o 4 5 o o o 4 6 o o o 5 6 o o o 
RuHg7 crystallizes in the trigonal R3m space group. Ru(1) is bonded in a 6-coordinate geometry to three equivalent Hg(1) and three equivalent Hg(2) atoms. All Ru(1)-Hg(1) bond lengths are 2.33 Å. All Ru(1)-Hg(2) bond lengths are 2.93 Å. There are three inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a 6-coordinate geometry to one Ru(1), one Hg(3), two equivalent Hg(1), and two equivalent Hg(2) atoms. The Hg(1)-Hg(3) bond length is 2.93 Å. Both Hg(1)-Hg(1) bond lengths are 1.34 Å. Both Hg(1)-Hg(2) bond lengths are 2.33 Å. In the second Hg site, Hg(2) is bonded in a 6-coordinate geometry to one Ru(1), one Hg(3), two equivalent Hg(1), and two equivalent Hg(2) atoms. The Hg(2)-Hg(3) bond length is 2.33 Å. Both Hg(2)-Hg(2) bond lengths are 1.34 Å. In the third Hg site, Hg(3) is bonded in a 6-coordinate geometry to three equivalent Hg(1) and three equivalent Hg(2) atoms.