data_La2RePb
_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   La2RePb
_chemical_formula_sum   'La2 Re1 Pb1'
_cell_volume   99.44
_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  La0  1  0.84  0.84  0.84  1.0
  La  La1  1  0.0  0.0  0.0  1.0
  Re  Re3  1  0.68  0.68  0.68  1.0
  Pb  Pb2  1  0.52  0.52  0.52  1.0

data_La2RePb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   12.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   La2RePb
_chemical_formula_sum   'La6 Re3 Pb3'
_cell_volume   298.33
_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  0.0  1.0
  La  La1  3  0.0  0.0  0.16  1.0
  Re  Re2  3  0.0  0.0  0.32  1.0
  Pb  Pb3  3  0.0  0.0  0.48  1.0

La La Re Pb
La2RePb crystallizes in the trigonal R3m space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a distorted single-bond geometry to one La(2), one Re(1), and three equivalent Pb(1) atoms. The La(1)-La(2) bond length is 2.06 Å. The La(1)-Re(1) bond length is 2.06 Å. All La(1)-Pb(1) bond lengths are 3.01 Å. In the second La site, La(2) is bonded in a 7-coordinate geometry to one La(1), three equivalent Re(1), and three equivalent Pb(1) atoms. All La(2)-Re(1) bond lengths are 3.01 Å. All La(2)-Pb(1) bond lengths are 3.80 Å. Re(1) is bonded to one La(1), three equivalent La(2), and one Pb(1) atom to form distorted ReLa4Pb trigonal bipyramids that share corners with six equivalent Re(1)La4Pb trigonal bipyramids, corners with three equivalent Pb(1)La6Re trigonal pyramids, and faces with three equivalent Pb(1)La6Re trigonal pyramids. The Re(1)-Pb(1) bond length is 2.06 Å. Pb(1) is bonded to three equivalent La(1), three equivalent La(2), and one Re(1) atom to form distorted PbLa6Re trigonal pyramids that share corners with three equivalent Re(1)La4Pb trigonal bipyramids, edges with six equivalent Pb(1)La6Re trigonal pyramids, and faces with three equivalent Re(1)La4Pb trigonal bipyramids.