data_NaSm2Cl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.89
_cell_length_b   13.89
_cell_length_c   3.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaSm2Cl6
_chemical_formula_sum   'Na3 Sm6 Cl18'
_cell_volume   637.34
_cell_formula_units_Z   3
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
  Na  Na0  1  0.0  0.0  0.87  1.0
  Na  Na1  1  0.95  0.01  0.02  1.0
  Na  Na2  1  0.0  0.02  0.91  1.0
  Sm  Sm3  1  0.36  0.06  0.86  1.0
  Sm  Sm4  1  0.73  0.03  0.95  1.0
  Sm  Sm5  1  0.36  0.02  0.86  1.0
  Sm  Sm6  1  0.67  0.05  0.95  1.0
  Sm  Sm7  1  0.28  0.98  0.86  1.0
  Sm  Sm8  1  0.6  0.98  0.95  1.0
  Cl  Cl9  1  0.26  0.2  0.95  1.0
  Cl  Cl10  1  0.86  0.91  0.86  1.0
  Cl  Cl11  1  0.59  0.75  0.95  1.0
  Cl  Cl12  1  0.32  0.2  0.86  1.0
  Cl  Cl13  1  0.05  0.17  0.95  1.0
  Cl  Cl14  1  0.32  0.17  0.96  1.0
  Cl  Cl15  1  0.77  0.87  0.86  1.0
  Cl  Cl16  1  0.87  0.92  0.85  1.0
  Cl  Cl17  1  0.6  0.77  0.96  1.0
  Cl  Cl18  1  0.35  0.26  0.86  1.0
  Cl  Cl19  1  1.0  0.09  0.95  1.0
  Cl  Cl20  1  0.34  0.23  0.95  1.0
  Cl  Cl21  1  0.63  0.87  0.86  1.0
  Cl  Cl22  1  0.76  0.96  0.86  1.0
  Cl  Cl23  1  0.61  0.66  0.95  1.0
  Cl  Cl24  1  0.43  0.23  0.85  1.0
  Cl  Cl25  1  0.08  0.12  0.96  1.0
  Cl  Cl26  1  0.71  0.92  0.85  1.0

data_NaSm2Cl6
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.81
_cell_length_b   13.89
_cell_length_c   13.89
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaSm2Cl6
_chemical_formula_sum   'Na3 Sm6 Cl18'
_cell_volume   637.34
_cell_formula_units_Z   3
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
  Na  Na0  1  0.02  0.95  0.01  1.0
  Na  Na1  1  0.87  0.0  0.0  1.0
  Na  Na2  1  0.91  -0.0  0.02  1.0
  Sm  Sm3  1  0.86  0.28  0.98  1.0
  Sm  Sm4  1  0.86  0.36  0.02  1.0
  Sm  Sm5  1  0.86  0.36  0.06  1.0
  Sm  Sm6  1  0.95  0.6  0.98  1.0
  Sm  Sm7  1  0.95  0.67  0.05  1.0
  Sm  Sm8  1  0.95  0.73  0.03  1.0
  Cl  Cl9  1  0.85  0.43  0.23  1.0
  Cl  Cl10  1  0.85  0.71  0.92  1.0
  Cl  Cl11  1  0.85  0.87  0.92  1.0
  Cl  Cl12  1  0.86  0.32  0.2  1.0
  Cl  Cl13  1  0.86  0.76  0.96  1.0
  Cl  Cl14  1  0.86  0.77  0.87  1.0
  Cl  Cl15  1  0.86  0.35  0.26  1.0
  Cl  Cl16  1  0.86  0.63  0.87  1.0
  Cl  Cl17  1  0.86  0.86  0.91  1.0
  Cl  Cl18  1  0.95  0.26  0.2  1.0
  Cl  Cl19  1  0.95  0.59  0.75  1.0
  Cl  Cl20  1  0.95  1.0  0.09  1.0
  Cl  Cl21  1  0.95  0.05  0.17  1.0
  Cl  Cl22  1  0.95  0.34  0.23  1.0
  Cl  Cl23  1  0.95  0.61  0.66  1.0
  Cl  Cl24  1  0.96  0.08  0.12  1.0
  Cl  Cl25  1  0.96  0.32  0.17  1.0
  Cl  Cl26  1  0.96  0.6  0.77  1.0

Na Na Na Sm Sm Sm Sm Sm Sm Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl
NaSm2Cl6 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one NaSm2Cl6 cluster. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a distorted single-bond geometry to one Na(3) atom. The Na(1)-Na(3) bond length is 0.34 Å. In the second Na site, Na(2) is bonded in a 3-coordinate geometry to one Na(3), one Cl(11), and one Cl(8) atom. The Na(2)-Na(3) bond length is 0.80 Å. The Na(2)-Cl(11) bond length is 0.98 Å. The Na(2)-Cl(8) bond length is 1.39 Å. In the third Na site, Na(3) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), one Cl(11), and one Cl(17) atom. The Na(3)-Cl(11) bond length is 0.94 Å. The Na(3)-Cl(17) bond length is 1.31 Å. There are six inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 3-coordinate geometry to one Sm(3), one Sm(5), one Cl(16), and one Cl(6) atom. The Sm(1)-Sm(3) bond length is 0.59 Å. The Sm(1)-Sm(5) bond length is 1.09 Å. The Sm(1)-Cl(16) bond length is 1.98 Å. The Sm(1)-Cl(6) bond length is 1.88 Å. In the second Sm site, Sm(2) is bonded in a 2-coordinate geometry to one Sm(4), one Cl(14), and one Cl(18) atom. The Sm(2)-Sm(4) bond length is 1.13 Å. The Sm(2)-Cl(14) bond length is 1.21 Å. The Sm(2)-Cl(18) bond length is 1.37 Å. In the third Sm site, Sm(3) is bonded in a distorted L-shaped geometry to one Sm(1) and one Sm(5) atom. The Sm(3)-Sm(5) bond length is 0.87 Å. In the fourth Sm site, Sm(4) is bonded in a distorted water-like geometry to one Sm(2) and one Sm(6) atom. The Sm(4)-Sm(6) bond length is 0.92 Å. In the fifth Sm site, Sm(5) is bonded in a 3-coordinate geometry to one Sm(1), one Sm(3), and one Cl(6) atom. The Sm(5)-Cl(6) bond length is 2.45 Å. In the sixth Sm site, Sm(6) is bonded in a distorted bent 120 degrees geometry to one Sm(4) and one Cl(13) atom. The Sm(6)-Cl(13) bond length is 1.89 Å. There are eighteen inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 4-coordinate geometry to one Cl(12), one Cl(17), one Cl(4), and one Cl(6) atom. The Cl(1)-Cl(12) bond length is 0.95 Å. The Cl(1)-Cl(17) bond length is 2.15 Å. The Cl(1)-Cl(4) bond length is 0.86 Å. The Cl(1)-Cl(6) bond length is 1.09 Å. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one Cl(7) and one Cl(8) atom. The Cl(2)-Cl(7) bond length is 1.19 Å. The Cl(2)-Cl(8) bond length is 0.11 Å. In the third Cl site, Cl(3) is bonded in a single-bond geometry to one Cl(15) and one Cl(9) atom. The Cl(3)-Cl(15) bond length is 1.43 Å. The Cl(3)-Cl(9) bond length is 0.27 Å. In the fourth Cl site, Cl(4) is bonded in a single-bond geometry to one Cl(1), one Cl(10), one Cl(12), and one Cl(6) atom. The Cl(4)-Cl(10) bond length is 0.69 Å. The Cl(4)-Cl(12) bond length is 0.52 Å. The Cl(4)-Cl(6) bond length is 0.60 Å. In the fifth Cl site, Cl(5) is bonded in a 2-coordinate geometry to one Cl(11) and one Cl(17) atom. The Cl(5)-Cl(11) bond length is 1.01 Å. The Cl(5)-Cl(17) bond length is 0.88 Å. In the sixth Cl site, Cl(6) is bonded in a 2-coordinate geometry to one Sm(1), one Sm(5), one Cl(1), one Cl(16), and one Cl(4) atom. The Cl(6)-Cl(16) bond length is 1.36 Å. In the seventh Cl site, Cl(7) is bonded in a 5-coordinate geometry to one Cl(14), one Cl(18), one Cl(2), one Cl(8), and one Cl(9) atom. The Cl(7)-Cl(14) bond length is 1.37 Å. The Cl(7)-Cl(18) bond length is 1.38 Å. The Cl(7)-Cl(8) bond length is 1.20 Å. The Cl(7)-Cl(9) bond length is 2.01 Å. In the eighth Cl site, Cl(8) is bonded in a distorted bent 120 degrees geometry to one Na(2), one Cl(2), and one Cl(7) atom. In the ninth Cl site, Cl(9) is bonded in a distorted single-bond geometry to one Cl(13), one Cl(3), and one Cl(7) atom. The Cl(9)-Cl(13) bond length is 1.25 Å. In the tenth Cl site, Cl(10) is bonded in a 2-coordinate geometry to one Cl(12) and one Cl(4) atom. The Cl(10)-Cl(12) bond length is 0.47 Å. In the eleventh Cl site, Cl(11) is bonded in a 2-coordinate geometry to one Na(2), one Na(3), one Cl(17), and one Cl(5) atom. The Cl(11)-Cl(17) bond length is 0.97 Å. In the twelfth Cl site, Cl(12) is bonded in a single-bond geometry to one Cl(1), one Cl(10), and one Cl(4) atom. In the thirteenth Cl site, Cl(13) is bonded in a 3-coordinate geometry to one Sm(6), one Cl(18), and one Cl(9) atom. The Cl(13)-Cl(18) bond length is 0.96 Å. In the fourteenth Cl site, Cl(14) is bonded in an L-shaped geometry to one Sm(2), one Cl(18), and one Cl(7) atom. The Cl(14)-Cl(18) bond length is 0.65 Å. In the fifteenth Cl site, Cl(15) is bonded in a distorted single-bond geometry to one Cl(3) atom. In the sixteenth Cl site, Cl(16) is bonded in a 2-coordinate geometry to one Sm(1) and one Cl(6) atom. In the seventeenth Cl site, Cl(17) is bonded in a 3-coordinate geometry to one Na(3), one Cl(1), one Cl(11), and one Cl(5) atom. In the eighteenth Cl site, Cl(18) is bonded in a 3-coordinate geometry to one Sm(2), one Cl(13), one Cl(14), and one Cl(7) atom.