The structure described by Ca2Au10Bi3 crystallizes in the trigonal R3m space group. There are four inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 16-coordinate geometry to three equivalent Au(2), three equivalent Au(6), six equivalent Au(1), one Bi(4), and three equivalent Bi(5) atoms. In the second Ca site, Ca(2) is bonded in a 16-coordinate geometry to three equivalent Au(3), three equivalent Au(7), six equivalent Au(2), one Bi(5), and three equivalent Bi(3) atoms. In the third Ca site, Ca(3) is bonded in a 16-coordinate geometry to three equivalent Au(4), three equivalent Au(8), six equivalent Au(3), one Bi(3), and three equivalent Bi(2) atoms. In the fourth Ca site, Ca(4) is bonded in a 16-coordinate geometry to three equivalent Au(5), three equivalent Au(9), six equivalent Au(4), one Bi(2), and three equivalent Bi(1) atoms. There are ten inequivalent Au sites. In the first Au site, Au(1) is bonded to two equivalent Ca(1), one Au(10), one Au(6), four equivalent Au(1), one Bi(5), one Bi(6), and two equivalent Bi(4) atoms to form AuCa2Bi4Au6 cuboctahedra that share corners with two equivalent Au(10)Bi6Au6 cuboctahedra, corners with two equivalent Au(6)Ca3Bi3Au6 cuboctahedra, corners with four equivalent Au(1)Ca2Bi4Au6 cuboctahedra, corners with five equivalent Au(2)Ca3Bi3Au6 cuboctahedra, corners with five equivalent Au(5)CaBi5Au6 cuboctahedra, edges with two equivalent Au(1)Ca2Bi4Au6 cuboctahedra, edges with two equivalent Au(2)Ca3Bi3Au6 cuboctahedra, edges with two equivalent Au(5)CaBi5Au6 cuboctahedra, faces with two equivalent Au(2)Ca3Bi3Au6 cuboctahedra, faces with two equivalent Au(5)CaBi5Au6 cuboctahedra, faces with three equivalent Au(10)Bi6Au6 cuboctahedra, faces with three equivalent Au(6)Ca3Bi3Au6 cuboctahedra, and faces with eight equivalent Au(1)Ca2Bi4Au6 cuboctahedra. In the second Au site, Au(2) is bonded to one Ca(1), two equivalent Ca(2), one Au(6), one Au(7), four equivalent Au(2), one Bi(3), and two equivalent Bi(5) atoms to form AuCa3Bi3Au6 cuboctahedra that share corners with two equivalent Au(6)Ca3Bi3Au6 cuboctahedra, corners with two equivalent Au(7)Ca3Bi3Au6 cuboctahedra, corners with four equivalent Au(2)Ca3Bi3Au6 cuboctahedra, corners with five equivalent Au(1)Ca2Bi4Au6 cuboctahedra, corners with five equivalent Au(3)Ca3Bi3Au6 cuboctahedra, edges with two equivalent Au(1)Ca2Bi4Au6 cuboctahedra, edges with two equivalent Au(2)Ca3Bi3Au6 cuboctahedra, edges with two equivalent Au(3)Ca3Bi3Au6 cuboctahedra, faces with two equivalent Au(1)Ca2Bi4Au6 cuboctahedra, faces with two equivalent Au(3)Ca3Bi3Au6 cuboctahedra, faces with three equivalent Au(6)Ca3Bi3Au6 cuboctahedra, faces with three equivalent Au(7)Ca3Bi3Au6 cuboctahedra, and faces with eight equivalent Au(2)Ca3Bi3Au6 cuboctahedra. In the third Au site, Au(3) is bonded to one Ca(2), two equivalent Ca(3), one Au(7), one Au(8), four equivalent Au(3), one Bi(2), and two equivalent Bi(3) atoms to form a mixture of face, corner, and edge-sharing AuCa3Bi3Au6 cuboctahedra. In the fourth Au site, Au(4) is bonded to one Ca(3), two equivalent Ca(4), one Au(8), one Au(9), four equivalent Au(4), one Bi(1), and two equivalent Bi(2) atoms to form AuCa3Bi3Au6 cuboctahedra that share corners with two equivalent Au(8)Ca3Bi3Au6 cuboctahedra, corners with two equivalent Au(9)Ca3Bi3Au6 cuboctahedra, corners with four equivalent Au(4)Ca3Bi3Au6 cuboctahedra, corners with five equivalent Au(3)Ca3Bi3Au6 cuboctahedra, corners with five equivalent Au(5)CaBi5Au6 cuboctahedra, edges with two equivalent Au(3)Ca3Bi3Au6 cuboctahedra, edges with two equivalent Au(4)Ca3Bi3Au6 cuboctahedra, edges with two equivalent Au(5)CaBi5Au6 cuboctahedra, faces with two equivalent Au(3)Ca3Bi3Au6 cuboctahedra, faces with two equivalent Au(5)CaBi5Au6 cuboctahedra, faces with three equivalent Au(8)Ca3Bi3Au6 cuboctahedra, faces with three equivalent Au(9)Ca3Bi3Au6 cuboctahedra, and faces with eight equivalent Au(4)Ca3Bi3Au6 cuboctahedra. In the fifth Au site, Au(5) is bonded to one Ca(4), one Au(10), one Au(9), four equivalent Au(5), one Bi(4), two equivalent Bi(1), and two equivalent Bi(6) atoms to form AuCaBi5Au6 cuboctahedra that share corners with two equivalent Au(10)Bi6Au6 cuboctahedra, corners with two equivalent Au(9)Ca3Bi3Au6 cuboctahedra, corners with four equivalent Au(5)CaBi5Au6 cuboctahedra, corners with five equivalent Au(1)Ca2Bi4Au6 cuboctahedra, corners with five equivalent Au(4)Ca3Bi3Au6 cuboctahedra, edges with two equivalent Au(1)Ca2Bi4Au6 cuboctahedra, edges with two equivalent Au(4)Ca3Bi3Au6 cuboctahedra, edges with two equivalent Au(5)CaBi5Au6 cuboctahedra, faces with two equivalent Au(1)Ca2Bi4Au6 cuboctahedra, faces with two equivalent Au(4)Ca3Bi3Au6 cuboctahedra, faces with three equivalent Au(10)Bi6Au6 cuboctahedra, faces with three equivalent Au(9)Ca3Bi3Au6 cuboctahedra, and faces with eight equivalent Au(5)CaBi5Au6 cuboctahedra. In the sixth Au site, Au(6) is bonded to three equivalent Ca(1), three equivalent Au(1), three equivalent Au(2), and three equivalent Bi(5) atoms to form AuCa3Bi3Au6 cuboctahedra that share corners with three equivalent Au(10)Bi6Au6 cuboctahedra, corners with three equivalent Au(7)Ca3Bi3Au6 cuboctahedra, corners with six equivalent Au(1)Ca2Bi4Au6 cuboctahedra, corners with six equivalent Au(2)Ca3Bi3Au6 cuboctahedra, edges with six equivalent Au(6)Ca3Bi3Au6 cuboctahedra, faces with nine equivalent Au(1)Ca2Bi4Au6 cuboctahedra, and faces with nine equivalent Au(2)Ca3Bi3Au6 cuboctahedra. In the seventh Au site, Au(7) is bonded to three equivalent Ca(2), three equivalent Au(2), three equivalent Au(3), and three equivalent Bi(3) atoms to form a mixture of face, corner, and edge-sharing AuCa3Bi3Au6 cuboctahedra. In the eighth Au site, Au(8) is bonded to three equivalent Ca(3), three equivalent Au(3), three equivalent Au(4), and three equivalent Bi(2) atoms to form a mixture of face, corner, and edge-sharing AuCa3Bi3Au6 cuboctahedra. In the ninth Au site, Au(9) is bonded to three equivalent Ca(4), three equivalent Au(4), three equivalent Au(5), and three equivalent Bi(1) atoms to form AuCa3Bi3Au6 cuboctahedra that share corners with three equivalent Au(10)Bi6Au6 cuboctahedra, corners with three equivalent Au(8)Ca3Bi3Au6 cuboctahedra, corners with six equivalent Au(4)Ca3Bi3Au6 cuboctahedra, corners with six equivalent Au(5)CaBi5Au6 cuboctahedra, edges with six equivalent Au(9)Ca3Bi3Au6 cuboctahedra, faces with nine equivalent Au(4)Ca3Bi3Au6 cuboctahedra, and faces with nine equivalent Au(5)CaBi5Au6 cuboctahedra. In the tenth Au site, Au(10) is bonded to three equivalent Au(1), three equivalent Au(5), three equivalent Bi(4), and three equivalent Bi(6) atoms to form AuBi6Au6 cuboctahedra that share corners with three equivalent Au(6)Ca3Bi3Au6 cuboctahedra, corners with three equivalent Au(9)Ca3Bi3Au6 cuboctahedra, corners with six equivalent Au(1)Ca2Bi4Au6 cuboctahedra, corners with six equivalent Au(5)CaBi5Au6 cuboctahedra, edges with six equivalent Au(10)Bi6Au6 cuboctahedra, faces with nine equivalent Au(1)Ca2Bi4Au6 cuboctahedra, and faces with nine equivalent Au(5)CaBi5Au6 cuboctahedra. There are six inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 16-coordinate geometry to three equivalent Ca(4), three equivalent Au(4), three equivalent Au(9), six equivalent Au(5), and one Bi(6) atom. In the second Bi site, Bi(2) is bonded in a 16-coordinate geometry to one Ca(4), three equivalent Ca(3), three equivalent Au(3), three equivalent Au(8), and six equivalent Au(4) atoms. In the third Bi site, Bi(3) is bonded in a 16-coordinate geometry to one Ca(3), three equivalent Ca(2), three equivalent Au(2), three equivalent Au(7), and six equivalent Au(3) atoms. In the fourth Bi site, Bi(4) is bonded in a 16-coordinate geometry to one Ca(1), three equivalent Au(10), three equivalent Au(5), six equivalent Au(1), and three equivalent Bi(6) atoms. In the fifth Bi site, Bi(5) is bonded in a 16-coordinate geometry to one Ca(2), three equivalent Ca(1), three equivalent Au(1), three equivalent Au(6), and six equivalent Au(2) atoms. In the sixth Bi site, Bi(6) is bonded in a 16-coordinate geometry to three equivalent Au(1), three equivalent Au(10), six equivalent Au(5), one Bi(1), and three equivalent Bi(4) atoms. is represented by the CIF card [CIF]
data_Ca2Bi3Au10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   23.737
_cell_length_b   23.737
_cell_length_c   23.737
_cell_angle_alpha   13.788
_cell_angle_beta   13.788
_cell_angle_gamma   13.788
_symmetry_Int_Tables_number   1
_cell_volume   661.099
_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
  Ca  Ca0  1  0.050  0.050  0.050  1.0
  Ca  Ca1  1  0.450  0.450  0.450  1.0
  Ca  Ca2  1  0.850  0.850  0.850  1.0
  Ca  Ca3  1  0.249  0.249  0.249  1.0
  Bi  Bi4  1  0.601  0.601  0.601  1.0
  Bi  Bi5  1  0.200  0.200  0.200  1.0
  Bi  Bi6  1  0.800  0.800  0.800  1.0
  Bi  Bi7  1  0.999  0.999  0.999  1.0
  Bi  Bi8  1  0.400  0.400  0.400  1.0
  Bi  Bi9  1  0.650  0.650  0.650  1.0
  Au  Au10  1  0.525  0.525  0.025  1.0
  Au  Au11  1  0.926  0.926  0.424  1.0
  Au  Au12  1  0.325  0.325  0.824  1.0
  Au  Au13  1  0.725  0.725  0.226  1.0
  Au  Au14  1  0.125  0.125  0.623  1.0
  Au  Au15  1  0.525  0.025  0.525  1.0
  Au  Au16  1  0.926  0.424  0.926  1.0
  Au  Au17  1  0.325  0.824  0.325  1.0
  Au  Au18  1  0.725  0.226  0.725  1.0
  Au  Au19  1  0.125  0.623  0.125  1.0
  Au  Au20  1  0.725  0.725  0.725  1.0
  Au  Au21  1  0.125  0.125  0.125  1.0
  Au  Au22  1  0.525  0.525  0.525  1.0
  Au  Au23  1  0.925  0.925  0.925  1.0
  Au  Au24  1  0.325  0.325  0.325  1.0
  Au  Au25  1  0.025  0.525  0.525  1.0
  Au  Au26  1  0.424  0.926  0.926  1.0
  Au  Au27  1  0.824  0.325  0.325  1.0
  Au  Au28  1  0.226  0.725  0.725  1.0
  Au  Au29  1  0.623  0.125  0.125  1.0
[/CIF]
.
The structure described by Ca2Au10Bi3 crystallizes in the trigonal R3m space group. There are four inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 16-coordinate geometry to three equivalent Au(2), three equivalent Au(6), six equivalent Au(1), one Bi(4), and three equivalent Bi(5) atoms. In the second Ca site, Ca(2) is bonded in a 16-coordinate geometry to three equivalent Au(3), three equivalent Au(7), six equivalent Au(2), one Bi(5), and three equivalent Bi(3) atoms. In the third Ca site, Ca(3) is bonded in a 16-coordinate geometry to three equivalent Au(4), three equivalent Au(8), six equivalent Au(3), one Bi(3), and three equivalent Bi(2) atoms. In the fourth Ca site, Ca(4) is bonded in a 16-coordinate geometry to three equivalent Au(5), three equivalent Au(9), six equivalent Au(4), one Bi(2), and three equivalent Bi(1) atoms. There are ten inequivalent Au sites. In the first Au site, Au(1) is bonded to two equivalent Ca(1), one Au(10), one Au(6), four equivalent Au(1), one Bi(5), one Bi(6), and two equivalent Bi(4) atoms to form AuCa2Bi4Au6 cuboctahedra that share corners with two equivalent Au(10)Bi6Au6 cuboctahedra, corners with two equivalent Au(6)Ca3Bi3Au6 cuboctahedra, corners with four equivalent Au(1)Ca2Bi4Au6 cuboctahedra, corners with five equivalent Au(2)Ca3Bi3Au6 cuboctahedra, corners with five equivalent Au(5)CaBi5Au6 cuboctahedra, edges with two equivalent Au(1)Ca2Bi4Au6 cuboctahedra, edges with two equivalent Au(2)Ca3Bi3Au6 cuboctahedra, edges with two equivalent Au(5)CaBi5Au6 cuboctahedra, faces with two equivalent Au(2)Ca3Bi3Au6 cuboctahedra, faces with two equivalent Au(5)CaBi5Au6 cuboctahedra, faces with three equivalent Au(10)Bi6Au6 cuboctahedra, faces with three equivalent Au(6)Ca3Bi3Au6 cuboctahedra, and faces with eight equivalent Au(1)Ca2Bi4Au6 cuboctahedra. In the second Au site, Au(2) is bonded to one Ca(1), two equivalent Ca(2), one Au(6), one Au(7), four equivalent Au(2), one Bi(3), and two equivalent Bi(5) atoms to form AuCa3Bi3Au6 cuboctahedra that share corners with two equivalent Au(6)Ca3Bi3Au6 cuboctahedra, corners with two equivalent Au(7)Ca3Bi3Au6 cuboctahedra, corners with four equivalent Au(2)Ca3Bi3Au6 cuboctahedra, corners with five equivalent Au(1)Ca2Bi4Au6 cuboctahedra, corners with five equivalent Au(3)Ca3Bi3Au6 cuboctahedra, edges with two equivalent Au(1)Ca2Bi4Au6 cuboctahedra, edges with two equivalent Au(2)Ca3Bi3Au6 cuboctahedra, edges with two equivalent Au(3)Ca3Bi3Au6 cuboctahedra, faces with two equivalent Au(1)Ca2Bi4Au6 cuboctahedra, faces with two equivalent Au(3)Ca3Bi3Au6 cuboctahedra, faces with three equivalent Au(6)Ca3Bi3Au6 cuboctahedra, faces with three equivalent Au(7)Ca3Bi3Au6 cuboctahedra, and faces with eight equivalent Au(2)Ca3Bi3Au6 cuboctahedra. In the third Au site, Au(3) is bonded to one Ca(2), two equivalent Ca(3), one Au(7), one Au(8), four equivalent Au(3), one Bi(2), and two equivalent Bi(3) atoms to form a mixture of face, corner, and edge-sharing AuCa3Bi3Au6 cuboctahedra. In the fourth Au site, Au(4) is bonded to one Ca(3), two equivalent Ca(4), one Au(8), one Au(9), four equivalent Au(4), one Bi(1), and two equivalent Bi(2) atoms to form AuCa3Bi3Au6 cuboctahedra that share corners with two equivalent Au(8)Ca3Bi3Au6 cuboctahedra, corners with two equivalent Au(9)Ca3Bi3Au6 cuboctahedra, corners with four equivalent Au(4)Ca3Bi3Au6 cuboctahedra, corners with five equivalent Au(3)Ca3Bi3Au6 cuboctahedra, corners with five equivalent Au(5)CaBi5Au6 cuboctahedra, edges with two equivalent Au(3)Ca3Bi3Au6 cuboctahedra, edges with two equivalent Au(4)Ca3Bi3Au6 cuboctahedra, edges with two equivalent Au(5)CaBi5Au6 cuboctahedra, faces with two equivalent Au(3)Ca3Bi3Au6 cuboctahedra, faces with two equivalent Au(5)CaBi5Au6 cuboctahedra, faces with three equivalent Au(8)Ca3Bi3Au6 cuboctahedra, faces with three equivalent Au(9)Ca3Bi3Au6 cuboctahedra, and faces with eight equivalent Au(4)Ca3Bi3Au6 cuboctahedra. In the fifth Au site, Au(5) is bonded to one Ca(4), one Au(10), one Au(9), four equivalent Au(5), one Bi(4), two equivalent Bi(1), and two equivalent Bi(6) atoms to form AuCaBi5Au6 cuboctahedra that share corners with two equivalent Au(10)Bi6Au6 cuboctahedra, corners with two equivalent Au(9)Ca3Bi3Au6 cuboctahedra, corners with four equivalent Au(5)CaBi5Au6 cuboctahedra, corners with five equivalent Au(1)Ca2Bi4Au6 cuboctahedra, corners with five equivalent Au(4)Ca3Bi3Au6 cuboctahedra, edges with two equivalent Au(1)Ca2Bi4Au6 cuboctahedra, edges with two equivalent Au(4)Ca3Bi3Au6 cuboctahedra, edges with two equivalent Au(5)CaBi5Au6 cuboctahedra, faces with two equivalent Au(1)Ca2Bi4Au6 cuboctahedra, faces with two equivalent Au(4)Ca3Bi3Au6 cuboctahedra, faces with three equivalent Au(10)Bi6Au6 cuboctahedra, faces with three equivalent Au(9)Ca3Bi3Au6 cuboctahedra, and faces with eight equivalent Au(5)CaBi5Au6 cuboctahedra. In the sixth Au site, Au(6) is bonded to three equivalent Ca(1), three equivalent Au(1), three equivalent Au(2), and three equivalent Bi(5) atoms to form AuCa3Bi3Au6 cuboctahedra that share corners with three equivalent Au(10)Bi6Au6 cuboctahedra, corners with three equivalent Au(7)Ca3Bi3Au6 cuboctahedra, corners with six equivalent Au(1)Ca2Bi4Au6 cuboctahedra, corners with six equivalent Au(2)Ca3Bi3Au6 cuboctahedra, edges with six equivalent Au(6)Ca3Bi3Au6 cuboctahedra, faces with nine equivalent Au(1)Ca2Bi4Au6 cuboctahedra, and faces with nine equivalent Au(2)Ca3Bi3Au6 cuboctahedra. In the seventh Au site, Au(7) is bonded to three equivalent Ca(2), three equivalent Au(2), three equivalent Au(3), and three equivalent Bi(3) atoms to form a mixture of face, corner, and edge-sharing AuCa3Bi3Au6 cuboctahedra. In the eighth Au site, Au(8) is bonded to three equivalent Ca(3), three equivalent Au(3), three equivalent Au(4), and three equivalent Bi(2) atoms to form a mixture of face, corner, and edge-sharing AuCa3Bi3Au6 cuboctahedra. In the ninth Au site, Au(9) is bonded to three equivalent Ca(4), three equivalent Au(4), three equivalent Au(5), and three equivalent Bi(1) atoms to form AuCa3Bi3Au6 cuboctahedra that share corners with three equivalent Au(10)Bi6Au6 cuboctahedra, corners with three equivalent Au(8)Ca3Bi3Au6 cuboctahedra, corners with six equivalent Au(4)Ca3Bi3Au6 cuboctahedra, corners with six equivalent Au(5)CaBi5Au6 cuboctahedra, edges with six equivalent Au(9)Ca3Bi3Au6 cuboctahedra, faces with nine equivalent Au(4)Ca3Bi3Au6 cuboctahedra, and faces with nine equivalent Au(5)CaBi5Au6 cuboctahedra. In the tenth Au site, Au(10) is bonded to three equivalent Au(1), three equivalent Au(5), three equivalent Bi(4), and three equivalent Bi(6) atoms to form AuBi6Au6 cuboctahedra that share corners with three equivalent Au(6)Ca3Bi3Au6 cuboctahedra, corners with three equivalent Au(9)Ca3Bi3Au6 cuboctahedra, corners with six equivalent Au(1)Ca2Bi4Au6 cuboctahedra, corners with six equivalent Au(5)CaBi5Au6 cuboctahedra, edges with six equivalent Au(10)Bi6Au6 cuboctahedra, faces with nine equivalent Au(1)Ca2Bi4Au6 cuboctahedra, and faces with nine equivalent Au(5)CaBi5Au6 cuboctahedra. There are six inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 16-coordinate geometry to three equivalent Ca(4), three equivalent Au(4), three equivalent Au(9), six equivalent Au(5), and one Bi(6) atom. In the second Bi site, Bi(2) is bonded in a 16-coordinate geometry to one Ca(4), three equivalent Ca(3), three equivalent Au(3), three equivalent Au(8), and six equivalent Au(4) atoms. In the third Bi site, Bi(3) is bonded in a 16-coordinate geometry to one Ca(3), three equivalent Ca(2), three equivalent Au(2), three equivalent Au(7), and six equivalent Au(3) atoms. In the fourth Bi site, Bi(4) is bonded in a 16-coordinate geometry to one Ca(1), three equivalent Au(10), three equivalent Au(5), six equivalent Au(1), and three equivalent Bi(6) atoms. In the fifth Bi site, Bi(5) is bonded in a 16-coordinate geometry to one Ca(2), three equivalent Ca(1), three equivalent Au(1), three equivalent Au(6), and six equivalent Au(2) atoms. In the sixth Bi site, Bi(6) is bonded in a 16-coordinate geometry to three equivalent Au(1), three equivalent Au(10), six equivalent Au(5), one Bi(1), and three equivalent Bi(4) atoms. is represented by the CIF card [CIF]
data_Ca2Bi3Au10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   23.737
_cell_length_b   23.737
_cell_length_c   23.737
_cell_angle_alpha   13.788
_cell_angle_beta   13.788
_cell_angle_gamma   13.788
_symmetry_Int_Tables_number   1
_cell_volume   661.099
_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
  Ca  Ca0  1  0.050  0.050  0.050  1.0
  Ca  Ca1  1  0.450  0.450  0.450  1.0
  Ca  Ca2  1  0.850  0.850  0.850  1.0
  Ca  Ca3  1  0.249  0.249  0.249  1.0
  Bi  Bi4  1  0.601  0.601  0.601  1.0
  Bi  Bi5  1  0.200  0.200  0.200  1.0
  Bi  Bi6  1  0.800  0.800  0.800  1.0
  Bi  Bi7  1  0.999  0.999  0.999  1.0
  Bi  Bi8  1  0.400  0.400  0.400  1.0
  Bi  Bi9  1  0.650  0.650  0.650  1.0
  Au  Au10  1  0.525  0.525  0.025  1.0
  Au  Au11  1  0.926  0.926  0.424  1.0
  Au  Au12  1  0.325  0.325  0.824  1.0
  Au  Au13  1  0.725  0.725  0.226  1.0
  Au  Au14  1  0.125  0.125  0.623  1.0
  Au  Au15  1  0.525  0.025  0.525  1.0
  Au  Au16  1  0.926  0.424  0.926  1.0
  Au  Au17  1  0.325  0.824  0.325  1.0
  Au  Au18  1  0.725  0.226  0.725  1.0
  Au  Au19  1  0.125  0.623  0.125  1.0
  Au  Au20  1  0.725  0.725  0.725  1.0
  Au  Au21  1  0.125  0.125  0.125  1.0
  Au  Au22  1  0.525  0.525  0.525  1.0
  Au  Au23  1  0.925  0.925  0.925  1.0
  Au  Au24  1  0.325  0.325  0.325  1.0
  Au  Au25  1  0.025  0.525  0.525  1.0
  Au  Au26  1  0.424  0.926  0.926  1.0
  Au  Au27  1  0.824  0.325  0.325  1.0
  Au  Au28  1  0.226  0.725  0.725  1.0
  Au  Au29  1  0.623  0.125  0.125  1.0
[/CIF]
.