data_ZrTiBiPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   5.2
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTiBiPb
_chemical_formula_sum   'Zr1 Ti1 Bi1 Pb1'
_cell_volume   99.2
_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
  Zr  Zr3  1  0.84  0.84  0.84  1.0
  Ti  Ti2  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.51  0.51  0.51  1.0
  Pb  Pb1  1  0.67  0.67  0.67  1.0

data_ZrTiBiPb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   12.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   ZrTiBiPb
_chemical_formula_sum   'Zr3 Ti3 Bi3 Pb3'
_cell_volume   297.6
_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
  Zr  Zr0  3  0.0  0.0  0.16  1.0
  Ti  Ti1  3  0.0  0.0  1.0  1.0
  Bi  Bi2  3  0.0  0.0  0.49  1.0
  Pb  Pb3  3  0.0  0.0  0.33  1.0

Zr Ti Bi Pb
ZrTiPbBi crystallizes in the trigonal R3m space group. Zr(1) is bonded in a 5-coordinate geometry to one Ti(1), one Pb(1), and three equivalent Bi(1) atoms. The Zr(1)-Ti(1) bond length is 2.07 Å. The Zr(1)-Pb(1) bond length is 2.07 Å. All Zr(1)-Bi(1) bond lengths are 3.00 Å. Ti(1) is bonded to one Zr(1) and three equivalent Pb(1) atoms to form distorted TiZrPb3 trigonal pyramids that share  a cornercorner with one Pb(1)ZrTi3Bi trigonal bipyramid, corners with six equivalent Ti(1)ZrPb3 trigonal pyramids, and edges with three equivalent Bi(1)Zr3Pb trigonal pyramids. All Ti(1)-Pb(1) bond lengths are 3.00 Å. Pb(1) is bonded to one Zr(1), three equivalent Ti(1), and one Bi(1) atom to form distorted PbZrTi3Bi trigonal bipyramids that share corners with six equivalent Pb(1)ZrTi3Bi trigonal bipyramids,  a cornercorner with one Ti(1)ZrPb3 trigonal pyramid, and corners with three equivalent Bi(1)Zr3Pb trigonal pyramids. The Pb(1)-Bi(1) bond length is 2.07 Å. Bi(1) is bonded to three equivalent Zr(1) and one Pb(1) atom to form distorted BiZr3Pb trigonal pyramids that share corners with three equivalent Pb(1)ZrTi3Bi trigonal bipyramids, corners with six equivalent Bi(1)Zr3Pb trigonal pyramids, and edges with three equivalent Ti(1)ZrPb3 trigonal pyramids.