data_Sm2CdS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.39
_cell_length_b   7.39
_cell_length_c   7.39
_cell_angle_alpha   110.61
_cell_angle_beta   110.61
_cell_angle_gamma   107.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm2CdS4
_chemical_formula_sum   'Sm4 Cd2 S8'
_cell_volume   310.34
_cell_formula_units_Z   2
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  0.1  0.83  0.29  1.0
  Sm  Sm1  1  0.17  0.1  0.48  1.0
  Sm  Sm2  1  0.1  0.38  0.9  1.0
  Sm  Sm3  1  0.04  0.1  0.1  1.0
  Cd  Cd4  1  0.0  0.0  0.0  1.0
  Cd  Cd5  1  0.0  0.21  0.19  1.0
  S  S6  1  0.58  0.79  0.63  1.0
  S  S7  1  0.37  0.63  0.95  1.0
  S  S8  1  0.63  0.58  0.37  1.0
  S  S9  1  0.63  0.63  0.82  1.0
  S  S10  1  0.84  0.58  0.57  1.0
  S  S11  1  0.58  0.63  0.76  1.0
  S  S12  1  0.63  0.42  0.01  1.0
  S  S13  1  0.58  0.58  0.43  1.0

data_Sm2CdS4
_symmetry_space_group_name_H-M   P1
_cell_length_a   7.39
_cell_length_b   7.39
_cell_length_c   7.39
_cell_angle_alpha   107.21
_cell_angle_beta   110.61
_cell_angle_gamma   110.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm2CdS4
_chemical_formula_sum   'Sm4 Cd2 S8'
_cell_volume   310.34
_cell_formula_units_Z   2
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  0.1  0.04  0.1  1.0
  Sm  Sm1  1  0.29  0.1  0.83  1.0
  Sm  Sm2  1  0.48  0.17  0.1  1.0
  Sm  Sm3  1  0.9  0.1  0.38  1.0
  Cd  Cd4  1  0.0  0.0  0.0  1.0
  Cd  Cd5  1  0.19  0.0  0.21  1.0
  S  S6  1  0.01  0.63  0.42  1.0
  S  S7  1  0.37  0.63  0.58  1.0
  S  S8  1  0.43  0.58  0.58  1.0
  S  S9  1  0.57  0.84  0.58  1.0
  S  S10  1  0.63  0.58  0.79  1.0
  S  S11  1  0.76  0.58  0.63  1.0
  S  S12  1  0.82  0.63  0.63  1.0
  S  S13  1  0.95  0.37  0.63  1.0

Sm Sm Sm Sm Cd Cd S S S S S S S S
Sm2CdS4 crystallizes in the triclinic P1 space group. There are four inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 5-coordinate geometry to one Sm(2), one Cd(1), one S(1), one S(4), and one S(7) atom. The Sm(1)-Sm(2) bond length is 1.80 Å. The Sm(1)-Cd(1) bond length is 2.83 Å. The Sm(1)-S(1) bond length is 3.71 Å. The Sm(1)-S(4) bond length is 3.36 Å. The Sm(1)-S(7) bond length is 3.16 Å. In the second Sm site, Sm(2) is bonded in a 4-coordinate geometry to one Sm(1), one Cd(2), one S(6), and one S(7) atom. The Sm(2)-Cd(2) bond length is 2.55 Å. The Sm(2)-S(6) bond length is 3.40 Å. The Sm(2)-S(7) bond length is 3.44 Å. In the third Sm site, Sm(3) is bonded in a single-bond geometry to one S(2) and one S(5) atom. The Sm(3)-S(2) bond length is 2.09 Å. The Sm(3)-S(5) bond length is 3.66 Å. In the fourth Sm site, Sm(4) is bonded in a bent 150 degrees geometry to one Cd(1) and one Cd(2) atom. The Sm(4)-Cd(1) bond length is 0.72 Å. The Sm(4)-Cd(2) bond length is 1.02 Å. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a single-bond geometry to one Sm(1), one Sm(4), one S(1), and one S(5) atom. The Cd(1)-S(1) bond length is 2.79 Å. The Cd(1)-S(5) bond length is 3.07 Å. In the second Cd site, Cd(2) is bonded in a single-bond geometry to one Sm(2) and one Sm(4) atom. There are eight inequivalent S sites. In the first S site, S(1) is bonded in a 4-coordinate geometry to one Sm(1), one Cd(1), one S(6), and one S(8) atom. The S(1)-S(6) bond length is 1.75 Å. The S(1)-S(8) bond length is 1.70 Å. In the second S site, S(2) is bonded in a single-bond geometry to one Sm(3) atom. In the third S site, S(3) is bonded in a single-bond geometry to one S(5), one S(7), and one S(8) atom. The S(3)-S(5) bond length is 1.68 Å. The S(3)-S(7) bond length is 2.52 Å. The S(3)-S(8) bond length is 0.66 Å. In the fourth S site, S(4) is bonded in a distorted single-bond geometry to one Sm(1), one S(6), and one S(7) atom. The S(4)-S(6) bond length is 0.47 Å. The S(4)-S(7) bond length is 2.44 Å. In the fifth S site, S(5) is bonded in a distorted rectangular see-saw-like geometry to one Sm(3), one Cd(1), one S(3), and one S(8) atom. The S(5)-S(8) bond length is 1.78 Å. In the sixth S site, S(6) is bonded in a distorted single-bond geometry to one Sm(2), one S(1), and one S(4) atom. In the seventh S site, S(7) is bonded in a 4-coordinate geometry to one Sm(1), one Sm(2), one S(3), and one S(4) atom. In the eighth S site, S(8) is bonded in a distorted single-bond geometry to one S(1), one S(3), and one S(5) atom.