data_BaCd2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.9
_cell_length_b   4.9
_cell_length_c   5.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCd2Hg
_chemical_formula_sum   'Ba1 Cd2 Hg1'
_cell_volume   128.04
_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
  Ba  Ba0  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.0  0.45  0.67  1.0
  Cd  Cd2  1  0.45  0.0  0.67  1.0
  Hg  Hg3  1  0.45  0.45  0.0  1.0

data_BaCd2Hg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.92
_cell_length_b   6.92
_cell_length_c   5.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaCd2Hg
_chemical_formula_sum   'Ba2 Cd4 Hg2'
_cell_volume   256.07
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Ba  Ba0  2  0.0  0.0  0.0  1.0
  Cd  Cd1  4  0.22  0.22  0.67  1.0
  Hg  Hg2  2  0.45  0.0  0.0  1.0

Ba Cd Cd Hg
Ba Cd Cd Hg 0 2 - o - 0 2 o o - 0 3 - o o 0 3 o - o 0 3 o o o 0 1 o - - 0 1 o o - 1 2 - o o 1 2 o o o 1 2 o + o 1 3 - o + 1 3 o o + 2 3 o - + 2 3 o o + 
BaHgCd2 is Magnesium tetraboride-derived structured and crystallizes in the monoclinic Cm space group. Ba(1) is bonded in a 10-coordinate geometry to four equivalent Hg(1) and six equivalent Cd(1) atoms. There are a spread of Ba(1)-Hg(1) bond distances ranging from 3.10-3.82 Å. There are a spread of Ba(1)-Cd(1) bond distances ranging from 2.81-4.20 Å. Hg(1) is bonded in a 8-coordinate geometry to four equivalent Ba(1) and four equivalent Cd(1) atoms. There are two shorter (2.81 Å) and two longer (3.22 Å) Hg(1)-Cd(1) bond lengths. Cd(1) is bonded in a 4-coordinate geometry to three equivalent Ba(1) and two equivalent Hg(1) atoms.