data_HgMoW3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   4.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgMoW3
_chemical_formula_sum   'Hg1 Mo1 W3'
_cell_volume   107.77
_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  0.38  0.38  0.38  1.0
  Mo  Mo0  1  0.0  0.0  0.0  1.0
  W  W2  1  0.0  0.38  0.0  1.0
  W  W3  1  0.0  0.0  0.38  1.0
  W  W4  1  0.38  0.0  0.0  1.0

data_HgMoW3
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.73
_cell_length_b   6.73
_cell_length_c   8.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   HgMoW3
_chemical_formula_sum   'Hg3 Mo3 W9'
_cell_volume   323.31
_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  0.38  1.0
  Mo  Mo1  3  0.0  0.0  0.0  1.0
  W  W2  9  0.21  0.41  0.79  1.0

Hg Mo W W W
Hg Mo W W W 0 3 o o o 0 2 o o o 0 4 o o o 1 4 o o o 1 3 o o o 1 2 o o o 
W3MoHg is Pb (Zr_0.50 Ti_0.48) O_3 structured and crystallizes in the trigonal R3m space group. W(1) is bonded in a 1-coordinate geometry to one Mo(1) and three equivalent Hg(1) atoms. The W(1)-Mo(1) bond length is 1.81 Å. There is one shorter (2.55 Å) and two longer (3.46 Å) W(1)-Hg(1) bond lengths. Mo(1) is bonded in a distorted octahedral geometry to three equivalent W(1) atoms. Hg(1) is bonded in a 9-coordinate geometry to nine equivalent W(1) atoms.