data_Cu2BPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.41
_cell_length_b   3.28
_cell_length_c   4.61
_cell_angle_alpha   90.0
_cell_angle_beta   105.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2BPb
_chemical_formula_sum   'Cu2 B1 Pb1'
_cell_volume   64.35
_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
  Cu  Cu1  1  0.74  0.64  0.7  1.0
  Cu  Cu2  1  0.44  0.64  0.74  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.59  0.0  0.22  1.0

data_Cu2BPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.28
_cell_length_b   4.41
_cell_length_c   4.61
_cell_angle_alpha   105.44
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2BPb
_chemical_formula_sum   'Cu2 B1 Pb1'
_cell_volume   64.35
_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
  Cu  Cu0  1  0.36  0.26  0.3  1.0
  Cu  Cu1  1  0.36  0.56  0.26  1.0
  B  B2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.41  0.78  1.0

Cu Cu B Pb
Cu2BPb crystallizes in the triclinic P1 space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 5-coordinate geometry to one Cu(2), two equivalent B(1), and two equivalent Pb(1) atoms. The Cu(1)-Cu(2) bond length is 1.38 Å. There is one shorter (1.94 Å) and one longer (2.61 Å) Cu(1)-B(1) bond length. There is one shorter (2.43 Å) and one longer (3.00 Å) Cu(1)-Pb(1) bond length. In the second Cu site, Cu(2) is bonded in a 2-coordinate geometry to one Cu(1), one B(1), and one Pb(1) atom. The Cu(2)-B(1) bond length is 2.79 Å. The Cu(2)-Pb(1) bond length is 2.43 Å. B(1) is bonded in a 5-coordinate geometry to one Cu(2), two equivalent Cu(1), and two equivalent Pb(1) atoms. There is one shorter (2.30 Å) and one longer (2.53 Å) B(1)-Pb(1) bond length. Pb(1) is bonded in a 4-coordinate geometry to one Cu(2), two equivalent Cu(1), and two equivalent B(1) atoms.