data_Sm2EuIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   5.16
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm2EuIr
_chemical_formula_sum   'Sm2 Eu1 Ir1'
_cell_volume   97.41
_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  0.48  0.48  0.48  1.0
  Sm  Sm3  1  0.83  0.83  0.83  1.0
  Eu  Eu0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.65  0.65  0.65  1.0

data_Sm2EuIr
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   12.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Sm2EuIr
_chemical_formula_sum   'Sm6 Eu3 Ir3'
_cell_volume   292.24
_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  0.17  1.0
  Sm  Sm1  3  0.0  0.0  0.52  1.0
  Eu  Eu2  3  0.0  0.0  0.0  1.0
  Ir  Ir3  3  0.0  0.0  0.35  1.0

Sm Sm Eu Ir
Sm Sm Eu Ir 0 3 o o o 1 3 o o o 1 2 + + + 
EuSm2Ir crystallizes in the trigonal R3m space group. Eu(1) is bonded to one Sm(2) and three equivalent Ir(1) atoms to form corner-sharing EuSmIr3 trigonal pyramids. The Eu(1)-Sm(2) bond length is 2.20 Å. All Eu(1)-Ir(1) bond lengths are 2.99 Å. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a single-bond geometry to one Ir(1) atom. The Sm(1)-Ir(1) bond length is 2.20 Å. In the second Sm site, Sm(2) is bonded in a distorted single-bond geometry to one Eu(1) and one Ir(1) atom. The Sm(2)-Ir(1) bond length is 2.20 Å. Ir(1) is bonded in a distorted linear geometry to three equivalent Eu(1), one Sm(1), and one Sm(2) atom.