data_CaVHgPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   5.22
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaVHgPb
_chemical_formula_sum   'Ca1 V1 Hg1 Pb1'
_cell_volume   100.55
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  V  V3  1  0.85  0.85  0.85  1.0
  Hg  Hg1  1  0.54  0.54  0.54  1.0
  Pb  Pb2  1  0.69  0.69  0.69  1.0

data_CaVHgPb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   12.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CaVHgPb
_chemical_formula_sum   'Ca3 V3 Hg3 Pb3'
_cell_volume   301.64
_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
  Ca  Ca0  3  0.0  0.0  0.0  1.0
  V  V1  3  0.0  0.0  0.15  1.0
  Hg  Hg2  3  0.0  0.0  0.46  1.0
  Pb  Pb3  3  0.0  0.0  0.31  1.0

Ca V Hg Pb
CaVHgPb crystallizes in the trigonal R3m space group. Ca(1) is bonded to one V(1) and three equivalent Pb(1) atoms to form distorted CaVPb3 trigonal pyramids that share  a cornercorner with one Pb(1)Ca3VHg trigonal bipyramid and corners with six equivalent Ca(1)VPb3 trigonal pyramids. The Ca(1)-V(1) bond length is 1.98 Å. All Ca(1)-Pb(1) bond lengths are 3.03 Å. V(1) is bonded in a distorted linear geometry to one Ca(1) and one Pb(1) atom. The V(1)-Pb(1) bond length is 1.98 Å. Hg(1) is bonded in a distorted single-bond geometry to one Pb(1) atom. The Hg(1)-Pb(1) bond length is 1.98 Å. Pb(1) is bonded to three equivalent Ca(1), one V(1), and one Hg(1) atom to form distorted PbCa3VHg trigonal bipyramids that share corners with six equivalent Pb(1)Ca3VHg trigonal bipyramids and  a cornercorner with one Ca(1)VPb3 trigonal pyramid.