data_ReHgBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   5.13
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReHgBi2
_chemical_formula_sum   'Re1 Hg1 Bi2'
_cell_volume   95.2
_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
  Re  Re3  1  0.0  0.0  0.0  1.0
  Hg  Hg2  1  0.81  0.81  0.81  1.0
  Bi  Bi0  1  0.44  0.44  0.44  1.0
  Bi  Bi1  1  0.62  0.62  0.62  1.0

data_ReHgBi2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   12.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   ReHgBi2
_chemical_formula_sum   'Re3 Hg3 Bi6'
_cell_volume   285.6
_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
  Re  Re0  3  0.0  0.0  0.0  1.0
  Hg  Hg1  3  0.0  0.0  0.19  1.0
  Bi  Bi2  3  0.0  0.0  0.38  1.0
  Bi  Bi3  3  0.0  0.0  0.56  1.0

Re Hg Bi Bi
Re Hg Bi Bi 0 1 - - - 0 3 - - o 0 3 - o - 0 3 o - - 0 2 - o o 0 2 o - o 0 2 o o - 1 3 o o o 1 2 + o o 1 2 o + o 1 2 o o + 2 3 o o o 
ReHgBi2 crystallizes in the trigonal R3m space group. Re(1) is bonded in a 1-coordinate geometry to one Hg(1), three equivalent Bi(1), and three equivalent Bi(2) atoms. The Re(1)-Hg(1) bond length is 2.36 Å. All Re(1)-Bi(1) bond lengths are 3.23 Å. All Re(1)-Bi(2) bond lengths are 3.01 Å. Hg(1) is bonded in a distorted linear geometry to one Re(1), one Bi(2), and three equivalent Bi(1) atoms. The Hg(1)-Bi(2) bond length is 2.36 Å. All Hg(1)-Bi(1) bond lengths are 3.01 Å. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 7-coordinate geometry to three equivalent Re(1), three equivalent Hg(1), and one Bi(2) atom. The Bi(1)-Bi(2) bond length is 2.36 Å. In the second Bi site, Bi(2) is bonded to three equivalent Re(1), one Hg(1), and one Bi(1) atom to form distorted corner-sharing BiRe3HgBi trigonal bipyramids.