data_SmPu2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   5.1
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmPu2Mo
_chemical_formula_sum   'Sm1 Pu2 Mo1'
_cell_volume   93.67
_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
  Sm  Sm3  1  0.6  0.6  0.6  1.0
  Pu  Pu1  1  0.41  0.41  0.41  1.0
  Pu  Pu2  1  0.8  0.8  0.8  1.0
  Mo  Mo0  1  0.0  0.0  0.0  1.0

data_SmPu2Mo
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   12.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   SmPu2Mo
_chemical_formula_sum   'Sm3 Pu6 Mo3'
_cell_volume   281.02
_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
  Sm  Sm0  3  0.0  0.0  0.4  1.0
  Pu  Pu1  3  0.0  0.0  0.2  1.0
  Pu  Pu2  3  0.0  0.0  0.59  1.0
  Mo  Mo3  3  0.0  0.0  0.0  1.0

Sm Pu Pu Mo
Pu2SmMo crystallizes in the trigonal R3m space group. There are two inequivalent Pu sites. In the first Pu site, Pu(1) is bonded to one Sm(1) and three equivalent Mo(1) atoms to form distorted corner-sharing PuSmMo3 tetrahedra. The Pu(1)-Sm(1) bond length is 2.47 Å. All Pu(1)-Mo(1) bond lengths are 3.08 Å. In the second Pu site, Pu(2) is bonded in a distorted linear geometry to one Sm(1) and one Mo(1) atom. The Pu(2)-Sm(1) bond length is 2.47 Å. The Pu(2)-Mo(1) bond length is 2.47 Å. Sm(1) is bonded in a 5-coordinate geometry to one Pu(1), one Pu(2), and three equivalent Mo(1) atoms. All Sm(1)-Mo(1) bond lengths are 3.04 Å. Mo(1) is bonded in a 1-coordinate geometry to one Pu(2), three equivalent Pu(1), and three equivalent Sm(1) atoms.