data_DyMg2W3S8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.25
_cell_length_b   7.25
_cell_length_c   7.43
_cell_angle_alpha   117.89
_cell_angle_beta   117.89
_cell_angle_gamma   63.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   DyMg2W3S8
_chemical_formula_sum   'Dy1 Mg2 W3 S8'
_cell_volume   291.13
_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
  Dy  Dy0  1  0.0  0.0  0.0  1.0
  Mg  Mg1  1  0.16  0.0  0.75  1.0
  Mg  Mg2  1  0.12  0.0  0.46  1.0
  W  W3  1  0.96  0.0  0.11  1.0
  W  W4  1  0.05  0.1  0.11  1.0
  W  W5  1  0.05  0.9  0.11  1.0
  S  S6  1  0.07  0.0  0.47  1.0
  S  S7  1  0.29  0.0  0.41  1.0
  S  S8  1  0.1  0.02  0.47  1.0
  S  S9  1  0.1  0.98  0.47  1.0
  S  S10  1  0.18  0.98  0.74  1.0
  S  S11  1  0.18  0.02  0.74  1.0
  S  S12  1  0.22  0.0  0.74  1.0
  S  S13  1  0.99  0.0  0.8  1.0

data_DyMg2W3S8
_symmetry_space_group_name_H-M   P1
_cell_length_a   7.25
_cell_length_b   7.25
_cell_length_c   7.43
_cell_angle_alpha   62.11
_cell_angle_beta   62.11
_cell_angle_gamma   63.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   DyMg2W3S8
_chemical_formula_sum   'Dy1 Mg2 W3 S8'
_cell_volume   291.13
_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
  Dy  Dy0  1  0.0  0.0  0.0  1.0
  Mg  Mg1  1  0.84  0.0  0.75  1.0
  Mg  Mg2  1  0.88  0.0  0.46  1.0
  W  W3  1  0.04  0.0  0.11  1.0
  W  W4  1  0.95  0.1  0.11  1.0
  W  W5  1  0.95  0.9  0.11  1.0
  S  S6  1  0.01  0.0  0.8  1.0
  S  S7  1  0.71  0.0  0.41  1.0
  S  S8  1  0.78  0.0  0.74  1.0
  S  S9  1  0.82  0.02  0.74  1.0
  S  S10  1  0.82  0.98  0.74  1.0
  S  S11  1  0.9  0.02  0.47  1.0
  S  S12  1  0.9  0.98  0.47  1.0
  S  S13  1  0.93  0.0  0.47  1.0

Dy Mg Mg W W W S S S S S S S S
Mg2DyW3S8 is Copper structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Mg2DyW3S8 cluster. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a distorted single-bond geometry to one S(5), one S(6), and one S(8) atom. The Mg(1)-S(5) bond length is 0.19 Å. The Mg(1)-S(6) bond length is 0.34 Å. The Mg(1)-S(8) bond length is 1.43 Å. In the second Mg site, Mg(2) is bonded in a distorted single-bond geometry to one W(3), one S(2), one S(3), and one S(4) atom. The Mg(2)-W(3) bond length is 2.22 Å. The Mg(2)-S(2) bond length is 1.43 Å. The Mg(2)-S(3) bond length is 0.19 Å. The Mg(2)-S(4) bond length is 0.34 Å. Dy(1) is bonded in a distorted single-bond geometry to one W(1), one W(2), one W(3), and one S(8) atom. The Dy(1)-W(1) bond length is 0.95 Å. The Dy(1)-W(2) bond length is 0.87 Å. The Dy(1)-W(3) bond length is 1.16 Å. The Dy(1)-S(8) bond length is 1.46 Å. There are three inequivalent W sites. In the first W site, W(1) is bonded in a distorted L-shaped geometry to one Dy(1) and one W(3) atom. The W(1)-W(3) bond length is 0.74 Å. In the second W site, W(2) is bonded in a single-bond geometry to one Dy(1) atom. In the third W site, W(3) is bonded in a 3-coordinate geometry to one Mg(2), one Dy(1), and one W(1) atom. There are eight inequivalent S sites. In the first S site, S(1) is bonded in a distorted single-bond geometry to one S(4) atom. The S(1)-S(4) bond length is 0.25 Å. In the second S site, S(2) is bonded in a single-bond geometry to one Mg(2) atom. In the third S site, S(3) is bonded in a single-bond geometry to one Mg(2) and one S(4) atom. The S(3)-S(4) bond length is 0.35 Å. In the fourth S site, S(4) is bonded in a 3-coordinate geometry to one Mg(2), one S(1), and one S(3) atom. In the fifth S site, S(5) is bonded in a distorted single-bond geometry to one Mg(1) and one S(6) atom. The S(5)-S(6) bond length is 0.35 Å. In the sixth S site, S(6) is bonded in a 2-coordinate geometry to one Mg(1), one S(5), and one S(7) atom. The S(6)-S(7) bond length is 0.25 Å. In the seventh S site, S(7) is bonded in a distorted single-bond geometry to one S(6) atom. In the eighth S site, S(8) is bonded in a distorted bent 120 degrees geometry to one Mg(1) and one Dy(1) atom.