The structure described by CsPr3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. Cs(1) is bonded to four equivalent Pr(2) and eight equivalent Pr(1) atoms to form CsPr12 cuboctahedra that share corners with four equivalent Cs(1)Pr12 cuboctahedra, corners with eight equivalent Pr(2)Cs4Pr8 cuboctahedra, edges with eight equivalent Cs(1)Pr12 cuboctahedra, edges with sixteen equivalent Pr(1)Cs4Pr8 cuboctahedra, faces with four equivalent Cs(1)Pr12 cuboctahedra, faces with six equivalent Pr(2)Cs4Pr8 cuboctahedra, and faces with eight equivalent Pr(1)Cs4Pr8 cuboctahedra. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded to four equivalent Cs(1), four equivalent Pr(1), and four equivalent Pr(2) atoms to form PrCs4Pr8 cuboctahedra that share corners with twelve equivalent Pr(1)Cs4Pr8 cuboctahedra, edges with eight equivalent Cs(1)Pr12 cuboctahedra, edges with eight equivalent Pr(1)Cs4Pr8 cuboctahedra, edges with eight equivalent Pr(2)Cs4Pr8 cuboctahedra, faces with four equivalent Cs(1)Pr12 cuboctahedra, faces with four equivalent Pr(2)Cs4Pr8 cuboctahedra, and faces with ten equivalent Pr(1)Cs4Pr8 cuboctahedra. In the second Pr site, Pr(2) is bonded to four equivalent Cs(1) and eight equivalent Pr(1) atoms to form PrCs4Pr8 cuboctahedra that share corners with four equivalent Pr(2)Cs4Pr8 cuboctahedra, corners with eight equivalent Cs(1)Pr12 cuboctahedra, edges with eight equivalent Pr(2)Cs4Pr8 cuboctahedra, edges with sixteen equivalent Pr(1)Cs4Pr8 cuboctahedra, faces with four equivalent Pr(2)Cs4Pr8 cuboctahedra, faces with six equivalent Cs(1)Pr12 cuboctahedra, and faces with eight equivalent Pr(1)Cs4Pr8 cuboctahedra. is represented by the CIF file [CIF]
data_CsPr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.670
_cell_length_b   6.670
_cell_length_c   6.670
_cell_angle_alpha   131.671
_cell_angle_beta   131.671
_cell_angle_gamma   70.750
_symmetry_Int_Tables_number   1
_cell_volume   162.169
_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
  Cs  Cs0  1  0.000  0.000  0.000  1.0
  Pr  Pr1  1  0.750  0.250  0.500  1.0
  Pr  Pr2  1  0.250  0.750  0.500  1.0
  Pr  Pr3  1  0.500  0.500  0.000  1.0
[/CIF]
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The structure described by CsPr3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. Cs(1) is bonded to four equivalent Pr(2) and eight equivalent Pr(1) atoms to form CsPr12 cuboctahedra that share corners with four equivalent Cs(1)Pr12 cuboctahedra, corners with eight equivalent Pr(2)Cs4Pr8 cuboctahedra, edges with eight equivalent Cs(1)Pr12 cuboctahedra, edges with sixteen equivalent Pr(1)Cs4Pr8 cuboctahedra, faces with four equivalent Cs(1)Pr12 cuboctahedra, faces with six equivalent Pr(2)Cs4Pr8 cuboctahedra, and faces with eight equivalent Pr(1)Cs4Pr8 cuboctahedra. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded to four equivalent Cs(1), four equivalent Pr(1), and four equivalent Pr(2) atoms to form PrCs4Pr8 cuboctahedra that share corners with twelve equivalent Pr(1)Cs4Pr8 cuboctahedra, edges with eight equivalent Cs(1)Pr12 cuboctahedra, edges with eight equivalent Pr(1)Cs4Pr8 cuboctahedra, edges with eight equivalent Pr(2)Cs4Pr8 cuboctahedra, faces with four equivalent Cs(1)Pr12 cuboctahedra, faces with four equivalent Pr(2)Cs4Pr8 cuboctahedra, and faces with ten equivalent Pr(1)Cs4Pr8 cuboctahedra. In the second Pr site, Pr(2) is bonded to four equivalent Cs(1) and eight equivalent Pr(1) atoms to form PrCs4Pr8 cuboctahedra that share corners with four equivalent Pr(2)Cs4Pr8 cuboctahedra, corners with eight equivalent Cs(1)Pr12 cuboctahedra, edges with eight equivalent Pr(2)Cs4Pr8 cuboctahedra, edges with sixteen equivalent Pr(1)Cs4Pr8 cuboctahedra, faces with four equivalent Pr(2)Cs4Pr8 cuboctahedra, faces with six equivalent Cs(1)Pr12 cuboctahedra, and faces with eight equivalent Pr(1)Cs4Pr8 cuboctahedra. is represented by the CIF file [CIF]
data_CsPr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.670
_cell_length_b   6.670
_cell_length_c   6.670
_cell_angle_alpha   131.671
_cell_angle_beta   131.671
_cell_angle_gamma   70.750
_symmetry_Int_Tables_number   1
_cell_volume   162.169
_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
  Cs  Cs0  1  0.000  0.000  0.000  1.0
  Pr  Pr1  1  0.750  0.250  0.500  1.0
  Pr  Pr2  1  0.250  0.750  0.500  1.0
  Pr  Pr3  1  0.500  0.500  0.000  1.0
[/CIF]
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