data_Hg2WCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   4.93
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2WCl
_chemical_formula_sum   'Hg2 W1 Cl1'
_cell_volume   84.78
_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  Hg1  1  0.49  0.49  0.49  1.0
  Hg  Hg2  1  0.23  0.23  0.23  1.0
  W  W3  1  0.74  0.74  0.74  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_Hg2WCl
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   12.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Hg2WCl
_chemical_formula_sum   'Hg6 W3 Cl3'
_cell_volume   254.33
_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  3  0.0  0.0  0.51  1.0
  Hg  Hg1  3  0.0  0.0  0.77  1.0
  W  W2  3  0.0  0.0  0.26  1.0
  Cl  Cl3  3  0.0  0.0  0.0  1.0

Hg Hg W Cl
WHg2Cl crystallizes in the trigonal R3m space group. W(1) is bonded in a distorted body-centered cubic geometry to four equivalent Hg(1) and four equivalent Cl(1) atoms. There are three shorter (2.99 Å) and one longer (3.10 Å) W(1)-Hg(1) bond length. There are three shorter (2.99 Å) and one longer (3.10 Å) W(1)-Cl(1) bond length. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a distorted body-centered cubic geometry to four equivalent W(1) and four equivalent Hg(2) atoms. There are three shorter (2.99 Å) and one longer (3.10 Å) Hg(1)-Hg(2) bond length. In the second Hg site, Hg(2) is bonded in a single-bond geometry to four equivalent Hg(1) and four equivalent Cl(1) atoms. There is one shorter (2.78 Å) and three longer (3.11 Å) Hg(2)-Cl(1) bond lengths. Cl(1) is bonded in a 8-coordinate geometry to four equivalent W(1) and four equivalent Hg(2) atoms.