data_TiZnGaPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.9
_cell_length_b   4.9
_cell_length_c   4.9
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiZnGaPb
_chemical_formula_sum   'Ti1 Zn1 Ga1 Pb1'
_cell_volume   82.96
_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
  Ti  Ti2  1  0.0  0.0  0.0  1.0
  Zn  Zn3  1  0.73  0.73  0.73  1.0
  Ga  Ga0  1  0.19  0.19  0.19  1.0
  Pb  Pb1  1  0.46  0.46  0.46  1.0

data_TiZnGaPb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.9
_cell_length_b   4.9
_cell_length_c   11.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   TiZnGaPb
_chemical_formula_sum   'Ti3 Zn3 Ga3 Pb3'
_cell_volume   248.89
_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
  Ti  Ti0  3  0.0  0.0  0.0  1.0
  Zn  Zn1  3  0.0  0.0  0.27  1.0
  Ga  Ga2  3  0.0  0.0  0.81  1.0
  Pb  Pb3  3  0.0  0.0  0.54  1.0

Ti Zn Ga Pb
TiZnGaPb crystallizes in the trigonal R3m space group. Ti(1) is bonded in a distorted single-bond geometry to four equivalent Zn(1), one Ga(1), and three equivalent Pb(1) atoms. There are three shorter (2.93 Å) and one longer (3.23 Å) Ti(1)-Zn(1) bond length. The Ti(1)-Ga(1) bond length is 2.31 Å. All Ti(1)-Pb(1) bond lengths are 3.22 Å. Zn(1) is bonded in a 8-coordinate geometry to four equivalent Ti(1) and four equivalent Pb(1) atoms. There are three shorter (2.93 Å) and one longer (3.23 Å) Zn(1)-Pb(1) bond length. Ga(1) is bonded in a 1-coordinate geometry to one Ti(1) and four equivalent Pb(1) atoms. There are three shorter (2.93 Å) and one longer (3.23 Å) Ga(1)-Pb(1) bond length. Pb(1) is bonded in a 11-coordinate geometry to three equivalent Ti(1), four equivalent Zn(1), and four equivalent Ga(1) atoms.