data_HfMgTlCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   5.07
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMgTlCd
_chemical_formula_sum   'Hf1 Mg1 Tl1 Cd1'
_cell_volume   91.91
_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
  Hf  Hf1  1  0.37  0.37  0.37  1.0
  Mg  Mg2  1  0.0  0.0  0.0  1.0
  Tl  Tl3  1  0.58  0.58  0.58  1.0
  Cd  Cd0  1  0.79  0.79  0.79  1.0

data_HfMgTlCd
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   12.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   HfMgTlCd
_chemical_formula_sum   'Hf3 Mg3 Tl3 Cd3'
_cell_volume   275.72
_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
  Hf  Hf0  3  0.0  0.0  0.63  1.0
  Mg  Mg1  3  0.0  0.0  -0.0  1.0
  Tl  Tl2  3  0.0  0.0  0.42  1.0
  Cd  Cd3  3  0.0  0.0  0.21  1.0

Hf Mg Tl Cd
Hf Mg Tl Cd 0 2 o - o 0 2 - o o 0 2 o o - 0 2 o o o 0 1 o o + 0 1 o + o 0 1 + o o 0 3 - o o 0 3 o - o 0 3 o o - 1 3 - - - 1 3 - - o 1 3 o - - 1 3 - o - 1 2 - - o 1 2 - o - 1 2 o - - 2 3 o - o 2 3 - o o 2 3 o o - 2 3 o o o 
MgHfCdTl crystallizes in the trigonal R3m space group. Mg(1) is bonded in a distorted single-bond geometry to three equivalent Hf(1), four equivalent Cd(1), and three equivalent Tl(1) atoms. All Mg(1)-Hf(1) bond lengths are 2.97 Å. There is one shorter (2.59 Å) and three longer (3.31 Å) Mg(1)-Cd(1) bond lengths. All Mg(1)-Tl(1) bond lengths are 3.11 Å. Hf(1) is bonded in a 10-coordinate geometry to three equivalent Mg(1), three equivalent Cd(1), and four equivalent Tl(1) atoms. All Hf(1)-Cd(1) bond lengths are 3.11 Å. There is one shorter (2.59 Å) and three longer (3.31 Å) Hf(1)-Tl(1) bond lengths. Cd(1) is bonded in a 11-coordinate geometry to four equivalent Mg(1), three equivalent Hf(1), and four equivalent Tl(1) atoms. There is one shorter (2.59 Å) and three longer (3.31 Å) Cd(1)-Tl(1) bond lengths. Tl(1) is bonded in a 11-coordinate geometry to three equivalent Mg(1), four equivalent Hf(1), and four equivalent Cd(1) atoms.