data_CsEu2Th
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.33
_cell_length_b   6.33
_cell_length_c   6.33
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsEu2Th
_chemical_formula_sum   'Cs1 Eu2 Th1'
_cell_volume   179.71
_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
  Eu  Eu1  1  0.72  0.72  0.72  1.0
  Eu  Eu2  1  0.24  0.24  0.24  1.0
  Th  Th3  1  0.48  0.48  0.48  1.0

data_CsEu2Th
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.33
_cell_length_b   6.33
_cell_length_c   15.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CsEu2Th
_chemical_formula_sum   'Cs3 Eu6 Th3'
_cell_volume   539.13
_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
  Eu  Eu1  3  0.0  0.0  0.28  1.0
  Eu  Eu2  3  0.0  0.0  0.76  1.0
  Th  Th3  3  0.0  0.0  0.52  1.0

Cs Eu Eu Th
CsThEu2 is Heusler structured and crystallizes in the trigonal R3m space group. Cs(1) is bonded in a 14-coordinate geometry to six equivalent Th(1), four equivalent Eu(1), and four equivalent Eu(2) atoms. There are three shorter (4.30 Å) and three longer (4.67 Å) Cs(1)-Th(1) bond lengths. There are three shorter (3.74 Å) and one longer (4.37 Å) Cs(1)-Eu(1) bond length. There is one shorter (3.72 Å) and three longer (3.94 Å) Cs(1)-Eu(2) bond lengths. Th(1) is bonded in a 14-coordinate geometry to six equivalent Cs(1), four equivalent Eu(1), and four equivalent Eu(2) atoms. There is one shorter (3.72 Å) and three longer (3.94 Å) Th(1)-Eu(1) bond lengths. There is one shorter (3.72 Å) and three longer (3.94 Å) Th(1)-Eu(2) bond lengths. There are two inequivalent Eu sites. In the first Eu site, Eu(1) is bonded in a 8-coordinate geometry to four equivalent Cs(1) and four equivalent Th(1) atoms. In the second Eu site, Eu(2) is bonded in a distorted body-centered cubic geometry to four equivalent Cs(1) and four equivalent Th(1) atoms.