data_MgTlZnPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   5.27
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTlZnPb
_chemical_formula_sum   'Mg1 Tl1 Zn1 Pb1'
_cell_volume   103.77
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Tl  Tl2  1  0.73  0.73  0.73  1.0
  Zn  Zn3  1  0.86  0.86  0.86  1.0
  Pb  Pb1  1  0.59  0.59  0.59  1.0

data_MgTlZnPb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   12.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   MgTlZnPb
_chemical_formula_sum   'Mg3 Tl3 Zn3 Pb3'
_cell_volume   311.32
_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
  Mg  Mg0  3  0.0  0.0  0.0  1.0
  Tl  Tl1  3  0.0  0.0  0.27  1.0
  Zn  Zn2  3  0.0  0.0  0.14  1.0
  Pb  Pb3  3  0.0  0.0  0.41  1.0

Mg Tl Zn Pb
Mg Tl Zn Pb 0 2 - - - 1 3 o o o 1 2 o o o 
MgZnTlPb crystallizes in the trigonal R3m space group. Mg(1) is bonded in a single-bond geometry to one Zn(1) atom. The Mg(1)-Zn(1) bond length is 1.75 Å. Zn(1) is bonded in a 5-coordinate geometry to one Mg(1), one Tl(1), and three equivalent Pb(1) atoms. The Zn(1)-Tl(1) bond length is 1.75 Å. All Zn(1)-Pb(1) bond lengths are 3.15 Å. Tl(1) is bonded in a 2-coordinate geometry to one Zn(1) and one Pb(1) atom. The Tl(1)-Pb(1) bond length is 1.75 Å. Pb(1) is bonded in a single-bond geometry to three equivalent Zn(1) and one Tl(1) atom.