The crystal structure described by Pr21Fe8C12Bi7 crystallizes in the cubic Fm-3m space group. There are three inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 6-coordinate geometry to three equivalent C(1) and three equivalent Bi(1) atoms. In the second Pr site, Pr(2) is bonded in a distorted L-shaped geometry to two equivalent C(1), one Bi(2), and two equivalent Bi(1) atoms. In the third Pr site, Pr(3) is bonded in an octahedral geometry to six equivalent Bi(1) atoms. Fe(1) is bonded in a trigonal planar geometry to three equivalent C(1) atoms. C(1) is bonded to two equivalent Pr(1), two equivalent Pr(2), and two equivalent Fe(1) atoms to form distorted CPr4Fe2 octahedra that share corners with two equivalent Bi(2)Pr12 cuboctahedra and edges with five equivalent C(1)Pr4Fe2 octahedra. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 9-coordinate geometry to one Pr(3), four equivalent Pr(1), and four equivalent Pr(2) atoms. In the second Bi site, Bi(2) is bonded to twelve equivalent Pr(2) atoms to form BiPr12 cuboctahedra that share corners with twenty-four equivalent C(1)Pr4Fe2 octahedra. The corner-sharing octahedral tilt angles are 44°. is represented by the CIF card [CIF]
data_Pr21Fe8Bi7C12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.571
_cell_length_b   11.571
_cell_length_c   11.571
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   1095.417
_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
  Pr  Pr0  1  0.363  0.363  0.363  1.0
  Pr  Pr1  1  0.342  0.000  0.000  1.0
  Pr  Pr2  1  0.363  0.911  0.363  1.0
  Pr  Pr3  1  0.637  0.637  0.637  1.0
  Pr  Pr4  1  0.363  0.363  0.911  1.0
  Pr  Pr5  1  0.000  0.000  0.658  1.0
  Pr  Pr6  1  0.000  0.658  0.000  1.0
  Pr  Pr7  1  0.637  0.089  0.637  1.0
  Pr  Pr8  1  0.342  0.658  0.000  1.0
  Pr  Pr9  1  0.089  0.637  0.637  1.0
  Pr  Pr10  1  0.911  0.363  0.363  1.0
  Pr  Pr11  1  0.000  0.342  0.658  1.0
  Pr  Pr12  1  0.658  0.342  0.000  1.0
  Pr  Pr13  1  0.342  0.000  0.658  1.0
  Pr  Pr14  1  0.637  0.637  0.089  1.0
  Pr  Pr15  1  0.000  0.658  0.342  1.0
  Pr  Pr16  1  0.658  0.000  0.000  1.0
  Pr  Pr17  1  0.658  0.000  0.342  1.0
  Pr  Pr18  1  0.500  0.500  0.500  1.0
  Pr  Pr19  1  0.000  0.000  0.342  1.0
  Pr  Pr20  1  0.000  0.342  0.000  1.0
  Fe  Fe21  1  0.196  0.196  0.196  1.0
  Fe  Fe22  1  0.413  0.196  0.196  1.0
  Fe  Fe23  1  0.804  0.804  0.587  1.0
  Fe  Fe24  1  0.196  0.413  0.196  1.0
  Fe  Fe25  1  0.196  0.196  0.413  1.0
  Fe  Fe26  1  0.804  0.587  0.804  1.0
  Fe  Fe27  1  0.587  0.804  0.804  1.0
  Fe  Fe28  1  0.804  0.804  0.804  1.0
  Bi  Bi29  1  0.710  0.290  0.290  1.0
  Bi  Bi30  1  0.290  0.290  0.710  1.0
  Bi  Bi31  1  0.290  0.710  0.710  1.0
  Bi  Bi32  1  0.710  0.290  0.710  1.0
  Bi  Bi33  1  0.290  0.710  0.290  1.0
  Bi  Bi34  1  0.000  0.000  0.000  1.0
  Bi  Bi35  1  0.710  0.710  0.290  1.0
  C  C36  1  0.391  0.391  0.109  1.0
  C  C37  1  0.609  0.609  0.891  1.0
  C  C38  1  0.391  0.109  0.109  1.0
  C  C39  1  0.109  0.391  0.109  1.0
  C  C40  1  0.891  0.891  0.609  1.0
  C  C41  1  0.891  0.609  0.891  1.0
  C  C42  1  0.109  0.109  0.391  1.0
  C  C43  1  0.391  0.109  0.391  1.0
  C  C44  1  0.609  0.891  0.891  1.0
  C  C45  1  0.609  0.891  0.609  1.0
  C  C46  1  0.109  0.391  0.391  1.0
  C  C47  1  0.891  0.609  0.609  1.0
[/CIF]
.
The crystal structure described by Pr21Fe8C12Bi7 crystallizes in the cubic Fm-3m space group. There are three inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 6-coordinate geometry to three equivalent C(1) and three equivalent Bi(1) atoms. In the second Pr site, Pr(2) is bonded in a distorted L-shaped geometry to two equivalent C(1), one Bi(2), and two equivalent Bi(1) atoms. In the third Pr site, Pr(3) is bonded in an octahedral geometry to six equivalent Bi(1) atoms. Fe(1) is bonded in a trigonal planar geometry to three equivalent C(1) atoms. C(1) is bonded to two equivalent Pr(1), two equivalent Pr(2), and two equivalent Fe(1) atoms to form distorted CPr4Fe2 octahedra that share corners with two equivalent Bi(2)Pr12 cuboctahedra and edges with five equivalent C(1)Pr4Fe2 octahedra. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 9-coordinate geometry to one Pr(3), four equivalent Pr(1), and four equivalent Pr(2) atoms. In the second Bi site, Bi(2) is bonded to twelve equivalent Pr(2) atoms to form BiPr12 cuboctahedra that share corners with twenty-four equivalent C(1)Pr4Fe2 octahedra. The corner-sharing octahedral tilt angles are 44°. is represented by the CIF card [CIF]
data_Pr21Fe8Bi7C12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.571
_cell_length_b   11.571
_cell_length_c   11.571
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   1095.417
_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
  Pr  Pr0  1  0.363  0.363  0.363  1.0
  Pr  Pr1  1  0.342  0.000  0.000  1.0
  Pr  Pr2  1  0.363  0.911  0.363  1.0
  Pr  Pr3  1  0.637  0.637  0.637  1.0
  Pr  Pr4  1  0.363  0.363  0.911  1.0
  Pr  Pr5  1  0.000  0.000  0.658  1.0
  Pr  Pr6  1  0.000  0.658  0.000  1.0
  Pr  Pr7  1  0.637  0.089  0.637  1.0
  Pr  Pr8  1  0.342  0.658  0.000  1.0
  Pr  Pr9  1  0.089  0.637  0.637  1.0
  Pr  Pr10  1  0.911  0.363  0.363  1.0
  Pr  Pr11  1  0.000  0.342  0.658  1.0
  Pr  Pr12  1  0.658  0.342  0.000  1.0
  Pr  Pr13  1  0.342  0.000  0.658  1.0
  Pr  Pr14  1  0.637  0.637  0.089  1.0
  Pr  Pr15  1  0.000  0.658  0.342  1.0
  Pr  Pr16  1  0.658  0.000  0.000  1.0
  Pr  Pr17  1  0.658  0.000  0.342  1.0
  Pr  Pr18  1  0.500  0.500  0.500  1.0
  Pr  Pr19  1  0.000  0.000  0.342  1.0
  Pr  Pr20  1  0.000  0.342  0.000  1.0
  Fe  Fe21  1  0.196  0.196  0.196  1.0
  Fe  Fe22  1  0.413  0.196  0.196  1.0
  Fe  Fe23  1  0.804  0.804  0.587  1.0
  Fe  Fe24  1  0.196  0.413  0.196  1.0
  Fe  Fe25  1  0.196  0.196  0.413  1.0
  Fe  Fe26  1  0.804  0.587  0.804  1.0
  Fe  Fe27  1  0.587  0.804  0.804  1.0
  Fe  Fe28  1  0.804  0.804  0.804  1.0
  Bi  Bi29  1  0.710  0.290  0.290  1.0
  Bi  Bi30  1  0.290  0.290  0.710  1.0
  Bi  Bi31  1  0.290  0.710  0.710  1.0
  Bi  Bi32  1  0.710  0.290  0.710  1.0
  Bi  Bi33  1  0.290  0.710  0.290  1.0
  Bi  Bi34  1  0.000  0.000  0.000  1.0
  Bi  Bi35  1  0.710  0.710  0.290  1.0
  C  C36  1  0.391  0.391  0.109  1.0
  C  C37  1  0.609  0.609  0.891  1.0
  C  C38  1  0.391  0.109  0.109  1.0
  C  C39  1  0.109  0.391  0.109  1.0
  C  C40  1  0.891  0.891  0.609  1.0
  C  C41  1  0.891  0.609  0.891  1.0
  C  C42  1  0.109  0.109  0.391  1.0
  C  C43  1  0.391  0.109  0.391  1.0
  C  C44  1  0.609  0.891  0.891  1.0
  C  C45  1  0.609  0.891  0.609  1.0
  C  C46  1  0.109  0.391  0.391  1.0
  C  C47  1  0.891  0.609  0.609  1.0
[/CIF]
.