data_LaTaGaPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   5.16
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTaGaPb
_chemical_formula_sum   'La1 Ta1 Ga1 Pb1'
_cell_volume   96.93
_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
  La  La1  1  0.65  0.65  0.65  1.0
  Ta  Ta3  1  0.82  0.82  0.82  1.0
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.47  0.47  0.47  1.0

data_LaTaGaPb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   12.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   LaTaGaPb
_chemical_formula_sum   'La3 Ta3 Ga3 Pb3'
_cell_volume   290.78
_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
  La  La0  3  0.0  0.0  0.35  1.0
  Ta  Ta1  3  0.0  0.0  0.18  1.0
  Ga  Ga2  3  0.0  0.0  -0.0  1.0
  Pb  Pb3  3  0.0  0.0  0.53  1.0

La Ta Ga Pb
LaTaGaPb crystallizes in the trigonal R3m space group. La(1) is bonded in a 2-coordinate geometry to one Ta(1), three equivalent Ga(1), and one Pb(1) atom. The La(1)-Ta(1) bond length is 2.24 Å. All La(1)-Ga(1) bond lengths are 2.99 Å. The La(1)-Pb(1) bond length is 2.24 Å. Ta(1) is bonded to one La(1), one Ga(1), and three equivalent Pb(1) atoms to form distorted TaLaGaPb3 trigonal bipyramids that share corners with six equivalent Ta(1)LaGaPb3 trigonal bipyramids and corners with three equivalent Ga(1)La3Ta trigonal pyramids. The Ta(1)-Ga(1) bond length is 2.24 Å. All Ta(1)-Pb(1) bond lengths are 2.99 Å. Ga(1) is bonded to three equivalent La(1) and one Ta(1) atom to form distorted GaLa3Ta trigonal pyramids that share corners with three equivalent Ta(1)LaGaPb3 trigonal bipyramids and corners with six equivalent Ga(1)La3Ta trigonal pyramids. Pb(1) is bonded in a distorted single-bond geometry to one La(1) and three equivalent Ta(1) atoms.