data_CsPrEu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.49
_cell_length_b   6.49
_cell_length_c   6.49
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsPrEu2
_chemical_formula_sum   'Cs1 Pr1 Eu2'
_cell_volume   193.11
_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  0.0  0.0  0.0  1.0
  Pr  Pr3  1  0.59  0.59  0.59  1.0
  Eu  Eu1  1  0.88  0.88  0.88  1.0
  Eu  Eu2  1  0.29  0.29  0.29  1.0

data_CsPrEu2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.49
_cell_length_b   6.49
_cell_length_c   15.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CsPrEu2
_chemical_formula_sum   'Cs3 Pr3 Eu6'
_cell_volume   579.32
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.0  1.0
  Pr  Pr1  3  0.0  0.0  0.41  1.0
  Eu  Eu2  3  0.0  0.0  0.12  1.0
  Eu  Eu3  3  0.0  0.0  0.71  1.0

Cs Pr Eu Eu
Cs Pr Eu Eu 0 2 - - - 0 1 o - - 0 1 - o - 0 1 - - o 0 3 o o - 0 3 o - o 0 3 - o o 1 3 o o + 1 3 o + o 1 3 + o o 1 2 - o o 1 2 o - o 1 2 o o - 2 3 + + o 2 3 + o + 2 3 o + + 
CsEu2Pr is Heusler structured and crystallizes in the trigonal R3m space group. Cs(1) is bonded in a single-bond geometry to one Eu(1), four equivalent Eu(2), and three equivalent Pr(1) atoms. The Cs(1)-Eu(1) bond length is 1.88 Å. There are three shorter (3.80 Å) and one longer (4.67 Å) Cs(1)-Eu(2) bond length. All Cs(1)-Pr(1) bond lengths are 3.95 Å. There are two inequivalent Eu sites. In the first Eu site, Eu(1) is bonded in a single-bond geometry to one Cs(1), three equivalent Eu(2), and four equivalent Pr(1) atoms. All Eu(1)-Eu(2) bond lengths are 3.95 Å. There are three shorter (3.80 Å) and one longer (4.67 Å) Eu(1)-Pr(1) bond length. In the second Eu site, Eu(2) is bonded in a 11-coordinate geometry to four equivalent Cs(1), three equivalent Eu(1), and four equivalent Pr(1) atoms. There are three shorter (3.80 Å) and one longer (4.67 Å) Eu(2)-Pr(1) bond length. Pr(1) is bonded in a 11-coordinate geometry to three equivalent Cs(1), four equivalent Eu(1), and four equivalent Eu(2) atoms.