data_NaHgBiW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   5.15
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaHgBiW
_chemical_formula_sum   'Na1 Hg1 Bi1 W1'
_cell_volume   96.35
_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
  Hg  Hg1  1  0.82  0.82  0.82  1.0
  Bi  Bi0  1  0.64  0.64  0.64  1.0
  W  W3  1  0.46  0.46  0.46  1.0

data_NaHgBiW
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   12.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   NaHgBiW
_chemical_formula_sum   'Na3 Hg3 Bi3 W3'
_cell_volume   289.05
_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
  Hg  Hg1  3  0.0  0.0  0.18  1.0
  Bi  Bi2  3  0.0  0.0  0.36  1.0
  W  W3  3  0.0  0.0  0.54  1.0

Na Hg Bi W
Na Hg Bi W 0 1 - - - 1 2 o o o 2 3 o o o 
NaWHgBi crystallizes in the trigonal R3m space group. Na(1) is bonded in a 1-coordinate geometry to three equivalent W(1), one Hg(1), and three equivalent Bi(1) atoms. All Na(1)-W(1) bond lengths are 3.36 Å. The Na(1)-Hg(1) bond length is 2.28 Å. All Na(1)-Bi(1) bond lengths are 2.99 Å. W(1) is bonded in a 7-coordinate geometry to three equivalent Na(1), three equivalent Hg(1), and one Bi(1) atom. All W(1)-Hg(1) bond lengths are 2.99 Å. The W(1)-Bi(1) bond length is 2.28 Å. Hg(1) is bonded in a 1-coordinate geometry to one Na(1), three equivalent W(1), and one Bi(1) atom. The Hg(1)-Bi(1) bond length is 2.28 Å. Bi(1) is bonded to three equivalent Na(1), one W(1), and one Hg(1) atom to form distorted corner-sharing BiNa3HgW trigonal bipyramids.