data_KMgVHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   5.17
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMgVHg
_chemical_formula_sum   'K1 Mg1 V1 Hg1'
_cell_volume   97.74
_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
  K  K1  1  0.83  0.83  0.83  1.0
  Mg  Mg2  1  0.0  0.0  0.0  1.0
  V  V3  1  0.66  0.66  0.66  1.0
  Hg  Hg0  1  0.48  0.48  0.48  1.0

data_KMgVHg
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   12.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   KMgVHg
_chemical_formula_sum   'K3 Mg3 V3 Hg3'
_cell_volume   293.21
_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
  K  K0  3  0.0  0.0  0.17  1.0
  Mg  Mg1  3  0.0  0.0  0.0  1.0
  V  V2  3  0.0  0.0  0.34  1.0
  Hg  Hg3  3  0.0  0.0  0.52  1.0

K Mg V Hg
KMgVHg crystallizes in the trigonal R3m space group. K(1) is bonded to one Mg(1), one V(1), and three equivalent Hg(1) atoms to form distorted KMgVHg3 trigonal bipyramids that share corners with six equivalent K(1)MgVHg3 trigonal bipyramids and  a cornercorner with one Hg(1)K3V trigonal pyramid. The K(1)-Mg(1) bond length is 2.18 Å. The K(1)-V(1) bond length is 2.18 Å. All K(1)-Hg(1) bond lengths are 2.99 Å. Mg(1) is bonded in a distorted single-bond geometry to one K(1) atom. V(1) is bonded in a 2-coordinate geometry to one K(1) and one Hg(1) atom. The V(1)-Hg(1) bond length is 2.18 Å. Hg(1) is bonded to three equivalent K(1) and one V(1) atom to form HgK3V trigonal pyramids that share  a cornercorner with one K(1)MgVHg3 trigonal bipyramid and corners with six equivalent Hg(1)K3V trigonal pyramids.