data_BaLiCuPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   5.21
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaLiCuPb
_chemical_formula_sum   'Ba1 Li1 Cu1 Pb1'
_cell_volume   100.06
_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
  Ba  Ba0  1  0.53  0.53  0.53  1.0
  Li  Li2  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.68  0.68  0.68  1.0
  Pb  Pb3  1  0.84  0.84  0.84  1.0

data_BaLiCuPb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   12.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   BaLiCuPb
_chemical_formula_sum   'Ba3 Li3 Cu3 Pb3'
_cell_volume   300.17
_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
  Ba  Ba0  3  0.0  0.0  0.47  1.0
  Li  Li1  3  0.0  0.0  -0.0  1.0
  Cu  Cu2  3  0.0  0.0  0.32  1.0
  Pb  Pb3  3  0.0  0.0  0.16  1.0

Ba Li Cu Pb
LiBaCuPb crystallizes in the trigonal R3m space group. Li(1) is bonded in a distorted single-bond geometry to one Pb(1) atom. The Li(1)-Pb(1) bond length is 2.01 Å. Ba(1) is bonded to one Cu(1) and three equivalent Pb(1) atoms to form distorted BaCuPb3 trigonal pyramids that share  a cornercorner with one Pb(1)Ba3LiCu trigonal bipyramid and corners with six equivalent Ba(1)CuPb3 trigonal pyramids. The Ba(1)-Cu(1) bond length is 2.01 Å. All Ba(1)-Pb(1) bond lengths are 3.02 Å. Cu(1) is bonded in a distorted linear geometry to one Ba(1) and one Pb(1) atom. The Cu(1)-Pb(1) bond length is 2.01 Å. Pb(1) is bonded to one Li(1), three equivalent Ba(1), and one Cu(1) atom to form distorted PbBa3LiCu trigonal bipyramids that share corners with six equivalent Pb(1)Ba3LiCu trigonal bipyramids and  a cornercorner with one Ba(1)CuPb3 trigonal pyramid.