data_BiPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.2
_cell_length_b   8.47
_cell_length_c   6.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiPd
_chemical_formula_sum   'Bi12 Pd12'
_cell_volume   534.78
_cell_formula_units_Z   12
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
  Bi  Bi0  1  0.28  0.24  0.55  1.0
  Bi  Bi1  1  0.92  0.23  0.65  1.0
  Bi  Bi2  1  0.92  0.47  0.55  1.0
  Bi  Bi3  1  0.28  1.0  0.65  1.0
  Bi  Bi4  1  0.21  0.58  0.55  1.0
  Bi  Bi5  1  0.99  0.88  0.65  1.0
  Bi  Bi6  1  0.99  0.35  0.55  1.0
  Bi  Bi7  1  0.21  0.11  0.65  1.0
  Bi  Bi8  1  0.95  0.35  0.0  1.0
  Bi  Bi9  1  0.25  0.12  0.1  1.0
  Bi  Bi10  1  0.25  0.12  0.0  1.0
  Bi  Bi11  1  0.95  0.35  0.1  1.0
  Pd  Pd12  1  0.54  0.88  0.55  1.0
  Pd  Pd13  1  0.66  0.58  0.65  1.0
  Pd  Pd14  1  0.66  0.12  0.55  1.0
  Pd  Pd15  1  0.54  0.35  0.65  1.0
  Pd  Pd16  1  0.53  0.48  0.55  1.0
  Pd  Pd17  1  0.67  0.98  0.65  1.0
  Pd  Pd18  1  0.67  0.25  0.55  1.0
  Pd  Pd19  1  0.53  0.22  0.65  1.0
  Pd  Pd20  1  0.32  0.35  0.0  1.0
  Pd  Pd21  1  0.88  0.12  0.1  1.0
  Pd  Pd22  1  0.88  0.12  0.0  1.0
  Pd  Pd23  1  0.32  0.35  0.1  1.0

data_BiPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.19
_cell_length_b   8.47
_cell_length_c   10.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiPd
_chemical_formula_sum   'Bi12 Pd12'
_cell_volume   534.78
_cell_formula_units_Z   12
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
  Bi  Bi0  1  -0.0  0.88  0.75  1.0
  Bi  Bi1  1  -0.0  0.65  0.05  1.0
  Bi  Bi2  1  0.35  0.0  0.72  1.0
  Bi  Bi3  1  0.35  0.12  0.01  1.0
  Bi  Bi4  1  0.35  0.77  0.08  1.0
  Bi  Bi5  1  0.35  0.89  0.79  1.0
  Bi  Bi6  1  0.45  0.42  0.79  1.0
  Bi  Bi7  1  0.45  0.53  0.08  1.0
  Bi  Bi8  1  0.45  0.65  0.01  1.0
  Bi  Bi9  1  0.45  0.76  0.72  1.0
  Bi  Bi10  1  0.9  0.65  0.05  1.0
  Bi  Bi11  1  0.9  0.88  0.75  1.0
  Pd  Pd12  1  -0.0  0.88  0.12  1.0
  Pd  Pd13  1  -0.0  0.65  0.68  1.0
  Pd  Pd14  1  0.35  0.02  0.33  1.0
  Pd  Pd15  1  0.35  0.42  0.34  1.0
  Pd  Pd16  1  0.35  0.65  0.46  1.0
  Pd  Pd17  1  0.35  0.78  0.47  1.0
  Pd  Pd18  1  0.45  0.12  0.46  1.0
  Pd  Pd19  1  0.45  0.52  0.47  1.0
  Pd  Pd20  1  0.45  0.75  0.33  1.0
  Pd  Pd21  1  0.45  0.88  0.34  1.0
  Pd  Pd22  1  0.9  0.65  0.68  1.0
  Pd  Pd23  1  0.9  0.88  0.12  1.0

Bi Bi Bi Bi Bi Bi Bi Bi Bi Bi Bi Bi Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd
Bi Bi Bi Bi Bi Bi Bi Bi Bi Bi Bi Bi Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd 0 7 o o o 0 4 o o o 1 6 o o o 1 5 o - o 2 6 o o o 2 4 + o o 2 5 o o o 3 7 o + o 3 4 o o o 3 5 - o o 4 6 - o o 4 5 - o o 4 23 o o o 4 20 o o + 4 16 o o o 5 21 o + + 5 22 o + + 5 17 o o o 5 7 + + o 8 11 o o o 9 10 o o o 12 17 o o o 13 16 o o o 14 17 o - o 14 18 o o o 15 19 o o o 15 16 o o o 20 23 o o o 21 22 o o o 
PdBi crystallizes in the triclinic P1 space group. There are eleven inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a distorted bent 120 degrees geometry to one Pd(6) and one Bi(4) atom. The Pd(1)-Pd(6) bond length is 1.68 Å. The Pd(1)-Bi(4) bond length is 2.87 Å. In the second Pd site, Pd(2) is bonded in a distorted bent 120 degrees geometry to one Pd(5) and one Bi(3) atom. The Pd(2)-Pd(5) bond length is 1.68 Å. The Pd(2)-Bi(3) bond length is 2.87 Å. In the third Pd site, Pd(3) is bonded in a distorted bent 150 degrees geometry to one Pd(6) and one Pd(7,8) atom. The Pd(3)-Pd(6) bond length is 1.28 Å. The Pd(3)-Pd(7,8) bond length is 1.12 Å. In the fourth Pd site, Pd(4) is bonded in a distorted bent 150 degrees geometry to one Pd(5) and one Pd(7,8) atom. The Pd(4)-Pd(5) bond length is 1.28 Å. The Pd(4)-Pd(7,8) bond length is 1.12 Å. In the fifth Pd site, Pd(5) is bonded in a 2-coordinate geometry to one Pd(2), one Pd(4), and one Bi(5) atom. The Pd(5)-Bi(5) bond length is 3.41 Å. In the sixth Pd site, Pd(6) is bonded in a 2-coordinate geometry to one Pd(1), one Pd(3), and one Bi(6) atom. The Pd(6)-Bi(6) bond length is 3.41 Å. In the seventh Pd site, Pd(7,8) is bonded in a 1-coordinate geometry to one Pd(3) atom. In the eighth Pd site, Pd(9) is bonded in a distorted L-shaped geometry to one Pd(12), one Bi(11), and one Bi(5) atom. The Pd(9)-Pd(12) bond length is 0.60 Å. The Pd(9)-Bi(11) bond length is 2.09 Å. The Pd(9)-Bi(5) bond length is 3.61 Å. In the ninth Pd site, Pd(10) is bonded in a distorted L-shaped geometry to one Pd(11) and one Bi(12) atom. The Pd(10)-Pd(11) bond length is 0.60 Å. The Pd(10)-Bi(12) bond length is 2.09 Å. In the tenth Pd site, Pd(11) is bonded in a 3-coordinate geometry to one Pd(10), one Bi(2), one Bi(6), and one Bi(9) atom. The Pd(11)-Bi(2) bond length is 2.43 Å. The Pd(11)-Bi(6) bond length is 3.17 Å. The Pd(11)-Bi(9) bond length is 2.09 Å. In the eleventh Pd site, Pd(12) is bonded in a 3-coordinate geometry to one Pd(9), one Bi(1), one Bi(10), and one Bi(5) atom. The Pd(12)-Bi(1) bond length is 2.98 Å. The Pd(12)-Bi(10) bond length is 2.09 Å. The Pd(12)-Bi(5) bond length is 3.61 Å. There are twelve inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a distorted single-bond geometry to one Pd(12), one Bi(5), and one Bi(8) atom. The Bi(1)-Bi(5) bond length is 3.04 Å. The Bi(1)-Bi(8) bond length is 1.40 Å. In the second Bi site, Bi(2) is bonded in a 1-coordinate geometry to one Pd(11), one Bi(6), and one Bi(7) atom. The Bi(2)-Bi(6) bond length is 3.04 Å. The Bi(2)-Bi(7) bond length is 1.40 Å. In the third Bi site, Bi(3) is bonded in a distorted single-bond geometry to one Pd(2), one Bi(5), one Bi(6), and one Bi(7) atom. The Bi(3)-Bi(5) bond length is 3.10 Å. The Bi(3)-Bi(6) bond length is 3.63 Å. The Bi(3)-Bi(7) bond length is 1.23 Å. In the fourth Bi site, Bi(4) is bonded in a distorted single-bond geometry to one Pd(1), one Bi(5), one Bi(6), and one Bi(8) atom. The Bi(4)-Bi(5) bond length is 3.63 Å. The Bi(4)-Bi(6) bond length is 3.10 Å. The Bi(4)-Bi(8) bond length is 1.23 Å. In the fifth Bi site, Bi(5) is bonded in a 8-coordinate geometry to one Pd(12), one Pd(5), one Pd(9), one Bi(1), one Bi(3), one Bi(4), one Bi(6), and one Bi(7) atom. The Bi(5)-Bi(6) bond length is 3.40 Å. The Bi(5)-Bi(7) bond length is 2.95 Å. In the sixth Bi site, Bi(6) is bonded in a 7-coordinate geometry to one Pd(11), one Pd(6), one Bi(2), one Bi(3), one Bi(4), one Bi(5), and one Bi(8) atom. The Bi(6)-Bi(8) bond length is 2.95 Å. In the seventh Bi site, Bi(7) is bonded in a water-like geometry to one Bi(2), one Bi(3), and one Bi(5) atom. In the eighth Bi site, Bi(8) is bonded in a distorted water-like geometry to one Bi(1), one Bi(4), and one Bi(6) atom. In the ninth Bi site, Bi(9) is bonded in a 2-coordinate geometry to one Pd(11) and one Bi(12) atom. The Bi(9)-Bi(12) bond length is 0.60 Å. In the tenth Bi site, Bi(10) is bonded in a distorted L-shaped geometry to one Pd(12) and one Bi(11) atom. The Bi(10)-Bi(11) bond length is 0.60 Å. In the eleventh Bi site, Bi(11) is bonded in a 2-coordinate geometry to one Pd(9) and one Bi(10) atom. In the twelfth Bi site, Bi(12) is bonded in a distorted L-shaped geometry to one Pd(10) and one Bi(9) atom.