data_KBeCdHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   5.18
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KBeCdHg
_chemical_formula_sum   'K1 Be1 Cd1 Hg1'
_cell_volume   98.39
_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  K3  1  0.5  0.5  0.5  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.66  0.66  0.66  1.0
  Hg  Hg2  1  0.83  0.83  0.83  1.0

data_KBeCdHg
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   12.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   KBeCdHg
_chemical_formula_sum   'K3 Be3 Cd3 Hg3'
_cell_volume   295.18
_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  0.5  1.0
  Be  Be1  3  0.0  0.0  0.0  1.0
  Cd  Cd2  3  0.0  0.0  0.34  1.0
  Hg  Hg3  3  0.0  0.0  0.17  1.0

K Be Cd Hg
KBeHgCd crystallizes in the trigonal R3m space group. K(1) is bonded to three equivalent Hg(1) and one Cd(1) atom to form distorted KCdHg3 trigonal pyramids that share  a cornercorner with one Hg(1)K3BeCd trigonal bipyramid and corners with six equivalent K(1)CdHg3 trigonal pyramids. All K(1)-Hg(1) bond lengths are 2.99 Å. The K(1)-Cd(1) bond length is 2.13 Å. Be(1) is bonded in a distorted single-bond geometry to one Hg(1) atom. The Be(1)-Hg(1) bond length is 2.13 Å. Hg(1) is bonded to three equivalent K(1), one Be(1), and one Cd(1) atom to form HgK3BeCd trigonal bipyramids that share corners with six equivalent Hg(1)K3BeCd trigonal bipyramids and  a cornercorner with one K(1)CdHg3 trigonal pyramid. The Hg(1)-Cd(1) bond length is 2.13 Å. Cd(1) is bonded in a distorted linear geometry to one K(1) and one Hg(1) atom.