data_NaCuReHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.64
_cell_length_b   4.64
_cell_length_c   4.64
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCuReHg
_chemical_formula_sum   'Na1 Cu1 Re1 Hg1'
_cell_volume   70.84
_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
  Na  Na2  1  0.0  0.0  0.0  1.0
  Cu  Cu0  1  0.93  0.93  0.93  1.0
  Re  Re3  1  0.64  0.64  0.64  1.0
  Hg  Hg1  1  0.28  0.28  0.28  1.0

data_NaCuReHg
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.64
_cell_length_b   4.64
_cell_length_c   11.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   NaCuReHg
_chemical_formula_sum   'Na3 Cu3 Re3 Hg3'
_cell_volume   212.51
_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
  Na  Na0  3  0.0  0.0  0.0  1.0
  Cu  Cu1  3  0.0  0.0  0.07  1.0
  Re  Re2  3  0.0  0.0  0.36  1.0
  Hg  Hg3  3  0.0  0.0  0.72  1.0

Na Cu Re Hg
Na Cu Re Hg 0 1 - - - 0 2 o - - 0 2 - o - 0 2 - - o 0 3 o o - 0 3 o - o 0 3 - o o 1 2 + o o 1 2 o + o 1 2 o o + 1 3 + + o 1 3 + o + 1 3 o + + 2 3 o o + 2 3 o + o 2 3 + o o 
NaReCuHg crystallizes in the trigonal R3m space group. Na(1) is bonded in a single-bond geometry to three equivalent Re(1), one Cu(1), and four equivalent Hg(1) atoms. All Na(1)-Re(1) bond lengths are 2.70 Å. The Na(1)-Cu(1) bond length is 0.84 Å. There are three shorter (2.74 Å) and one longer (3.23 Å) Na(1)-Hg(1) bond length. Re(1) is bonded in a 6-coordinate geometry to three equivalent Na(1) and three equivalent Hg(1) atoms. All Re(1)-Hg(1) bond lengths are 2.70 Å. Cu(1) is bonded in a single-bond geometry to one Na(1) and three equivalent Hg(1) atoms. All Cu(1)-Hg(1) bond lengths are 2.70 Å. Hg(1) is bonded in a 10-coordinate geometry to four equivalent Na(1), three equivalent Re(1), and three equivalent Cu(1) atoms.