data_Sm3Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.48
_cell_length_b   9.44
_cell_length_c   6.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm3Os
_chemical_formula_sum   'Sm12 Os4'
_cell_volume   456.81
_cell_formula_units_Z   4
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  Sm0  1  0.06  0.61  0.14  1.0
  Sm  Sm1  1  0.32  0.11  0.09  1.0
  Sm  Sm2  1  0.42  0.33  0.33  1.0
  Sm  Sm3  1  0.16  0.83  0.37  1.0
  Sm  Sm4  1  0.42  0.83  0.33  1.0
  Sm  Sm5  1  0.16  0.33  0.37  1.0
  Sm  Sm6  1  0.06  0.11  0.14  1.0
  Sm  Sm7  1  0.32  0.61  0.09  1.0
  Sm  Sm8  1  0.04  0.36  0.58  1.0
  Sm  Sm9  1  0.3  0.36  0.12  1.0
  Sm  Sm10  1  0.44  0.08  0.88  1.0
  Sm  Sm11  1  0.18  0.08  0.35  1.0
  Os  Os12  1  0.62  0.36  0.3  1.0
  Os  Os13  1  0.88  0.36  0.93  1.0
  Os  Os14  1  0.86  0.08  0.16  1.0
  Os  Os15  1  0.6  0.08  0.54  1.0

data_Sm3Os
_symmetry_space_group_name_H-M   P-1
_cell_length_a   6.47
_cell_length_b   7.48
_cell_length_c   9.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Sm3Os
_chemical_formula_sum   'Sm12 Os4'
_cell_volume   456.81
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  Sm0  2  0.09  0.18  0.11  1.0
  Sm  Sm1  2  0.09  0.18  0.61  1.0
  Sm  Sm2  2  0.12  0.94  0.86  1.0
  Sm  Sm3  2  0.14  0.92  0.11  1.0
  Sm  Sm4  2  0.14  0.92  0.61  1.0
  Sm  Sm5  2  0.35  0.8  0.14  1.0
  Os  Os6  2  0.07  0.38  0.14  1.0
  Os  Os7  2  0.3  0.36  0.86  1.0

Sm Sm Sm Sm Sm Sm Sm Sm Sm Sm Sm Sm Os Os Os Os
Sm3Os crystallizes in the triclinic P-1 space group. There are six inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 2-coordinate geometry to two equivalent Sm(4) and one Os(2) atom. There is one shorter (1.96 Å) and one longer (2.67 Å) Sm(1)-Sm(4) bond length. The Sm(1)-Os(2) bond length is 3.03 Å. In the second Sm site, Sm(2) is bonded in a 4-coordinate geometry to one Sm(3), one Sm(5), and two equivalent Sm(6) atoms. The Sm(2)-Sm(3) bond length is 1.96 Å. The Sm(2)-Sm(5) bond length is 1.65 Å. There is one shorter (1.97 Å) and one longer (2.38 Å) Sm(2)-Sm(6) bond length. In the third Sm site, Sm(3) is bonded in a distorted single-bond geometry to one Sm(2), one Sm(6), and one Os(1) atom. The Sm(3)-Sm(6) bond length is 1.65 Å. The Sm(3)-Os(1) bond length is 1.57 Å. In the fourth Sm site, Sm(4) is bonded in a 4-coordinate geometry to one Sm(6), two equivalent Sm(1), and one Os(1) atom. The Sm(4)-Sm(6) bond length is 2.38 Å. The Sm(4)-Os(1) bond length is 3.54 Å. In the fifth Sm site, Sm(5) is bonded in a 3-coordinate geometry to one Sm(2), one Os(1), and one Os(2) atom. The Sm(5)-Os(1) bond length is 3.60 Å. The Sm(5)-Os(2) bond length is 2.54 Å. In the sixth Sm site, Sm(6) is bonded in a 1-coordinate geometry to one Sm(3), one Sm(4), and two equivalent Sm(2) atoms. There are two inequivalent Os sites. In the first Os site, Os(1) is bonded in a single-bond geometry to one Sm(3), one Sm(4), and one Sm(5) atom. In the second Os site, Os(2) is bonded in a 1-coordinate geometry to one Sm(1) and one Sm(5) atom.