data_Sm2DyMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28
_cell_length_b   5.28
_cell_length_c   5.28
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm2DyMo
_chemical_formula_sum   'Sm2 Dy1 Mo1'
_cell_volume   104.11
_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
  Sm  Sm2  1  0.87  0.87  0.87  1.0
  Sm  Sm3  1  0.6  0.6  0.6  1.0
  Dy  Dy0  1  0.73  0.73  0.73  1.0
  Mo  Mo1  1  0.0  0.0  0.0  1.0

data_Sm2DyMo
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.28
_cell_length_b   5.28
_cell_length_c   12.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Sm2DyMo
_chemical_formula_sum   'Sm6 Dy3 Mo3'
_cell_volume   312.34
_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  0.13  1.0
  Sm  Sm1  3  0.0  0.0  0.4  1.0
  Dy  Dy2  3  0.0  0.0  0.27  1.0
  Mo  Mo3  3  0.0  0.0  0.0  1.0

Sm Sm Dy Mo
Sm Sm Dy Mo 0 2 o o o 0 3 + + + 1 2 o o o 
DySm2Mo crystallizes in the trigonal R3m space group. Dy(1) is bonded in a 5-coordinate geometry to one Sm(1), one Sm(2), and three equivalent Mo(1) atoms. The Dy(1)-Sm(1) bond length is 1.72 Å. The Dy(1)-Sm(2) bond length is 1.72 Å. All Dy(1)-Mo(1) bond lengths are 3.17 Å. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a distorted linear geometry to one Dy(1) and one Mo(1) atom. The Sm(1)-Mo(1) bond length is 1.72 Å. In the second Sm site, Sm(2) is bonded in a single-bond geometry to one Dy(1) atom. Mo(1) is bonded in a single-bond geometry to three equivalent Dy(1) and one Sm(1) atom.