data_LaCdCoHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03
_cell_length_b   5.03
_cell_length_c   5.03
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCdCoHg
_chemical_formula_sum   'La1 Cd1 Co1 Hg1'
_cell_volume   89.93
_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
  La  La3  1  0.33  0.33  0.33  1.0
  Cd  Cd0  1  0.56  0.56  0.56  1.0
  Co  Co1  1  0.0  0.0  0.0  1.0
  Hg  Hg2  1  0.78  0.78  0.78  1.0

data_LaCdCoHg
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.03
_cell_length_b   5.03
_cell_length_c   12.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   LaCdCoHg
_chemical_formula_sum   'La3 Cd3 Co3 Hg3'
_cell_volume   269.78
_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
  La  La0  3  0.0  0.0  0.67  1.0
  Cd  Cd1  3  0.0  0.0  0.44  1.0
  Co  Co2  3  0.0  0.0  0.0  1.0
  Hg  Hg3  3  0.0  0.0  0.22  1.0

La Cd Co Hg
La Cd Co Hg 0 1 o - o 0 1 - o o 0 1 o o - 0 1 o o o 0 2 o o + 0 2 o + o 0 2 + o o 0 3 - o o 0 3 o - o 0 3 o o - 1 3 o - o 1 3 - o o 1 3 o o - 1 3 o o o 1 2 o + + 1 2 + o + 1 2 + + o 2 3 - - - 2 3 - - o 2 3 o - - 2 3 - o - 
LaCoHgCd crystallizes in the trigonal R3m space group. La(1) is bonded in a 10-coordinate geometry to three equivalent Co(1), three equivalent Hg(1), and four equivalent Cd(1) atoms. All La(1)-Co(1) bond lengths are 2.90 Å. All La(1)-Hg(1) bond lengths are 3.21 Å. There is one shorter (2.73 Å) and three longer (3.21 Å) La(1)-Cd(1) bond lengths. Co(1) is bonded in a 4-coordinate geometry to three equivalent La(1), four equivalent Hg(1), and three equivalent Cd(1) atoms. There is one shorter (2.73 Å) and three longer (3.21 Å) Co(1)-Hg(1) bond lengths. All Co(1)-Cd(1) bond lengths are 3.21 Å. Hg(1) is bonded in a 11-coordinate geometry to three equivalent La(1), four equivalent Co(1), and four equivalent Cd(1) atoms. There is one shorter (2.73 Å) and three longer (3.21 Å) Hg(1)-Cd(1) bond lengths. Cd(1) is bonded in a 11-coordinate geometry to four equivalent La(1), three equivalent Co(1), and four equivalent Hg(1) atoms.