data_LaCuPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.74
_cell_length_b   4.74
_cell_length_c   7.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCuPb
_chemical_formula_sum   'La2 Cu2 Pb2'
_cell_volume   153.46
_cell_formula_units_Z   2
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  0.0  0.0  0.07  1.0
  La  La1  1  0.0  0.0  0.02  1.0
  Cu  Cu2  1  0.37  0.37  0.45  1.0
  Cu  Cu3  1  0.0  0.74  0.39  1.0
  Pb  Pb4  1  0.37  0.37  0.82  1.0
  Pb  Pb5  1  0.0  0.74  0.88  1.0

data_LaCuPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.74
_cell_length_b   4.74
_cell_length_c   7.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCuPb
_chemical_formula_sum   'La2 Cu2 Pb2'
_cell_volume   153.46
_cell_formula_units_Z   2
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  0.0  0.0  0.02  1.0
  La  La1  1  0.0  0.0  0.07  1.0
  Cu  Cu2  1  0.0  0.74  0.39  1.0
  Cu  Cu3  1  0.37  0.37  0.45  1.0
  Pb  Pb4  1  0.0  0.74  0.88  1.0
  Pb  Pb5  1  0.37  0.37  0.82  1.0

La La Cu Cu Pb Pb
LaCuPb crystallizes in the triclinic P1 space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 1-coordinate geometry to one La(2), one Cu(1), and one Cu(2) atom. The La(1)-La(2) bond length is 0.45 Å. The La(1)-Cu(1) bond length is 3.44 Å. The La(1)-Cu(2) bond length is 2.81 Å. In the second La site, La(2) is bonded in a 3-coordinate geometry to one La(1), one Pb(1), and one Pb(2) atom. The La(2)-Pb(1) bond length is 2.32 Å. The La(2)-Pb(2) bond length is 1.65 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 5-coordinate geometry to one La(1), three equivalent Cu(2), and one Pb(1) atom. There are two shorter (2.64 Å) and one longer (3.06 Å) Cu(1)-Cu(2) bond length. The Cu(1)-Pb(1) bond length is 2.96 Å. In the second Cu site, Cu(2) is bonded in a distorted single-bond geometry to one La(1) and three equivalent Cu(1) atoms. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 1-coordinate geometry to one La(2) and one Cu(1) atom. In the second Pb site, Pb(2) is bonded in a single-bond geometry to one La(2) atom.