data_KNdS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.76
_cell_length_b   7.76
_cell_length_c   7.76
_cell_angle_alpha   31.49
_cell_angle_beta   31.49
_cell_angle_gamma   31.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNdS2
_chemical_formula_sum   'K1 Nd1 S2'
_cell_volume   113.23
_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
  K  K0  1  0.0  0.0  0.0  1.0
  Nd  Nd1  1  0.0  0.0  0.06  1.0
  S  S2  1  0.0  0.0  0.9  1.0
  S  S3  1  0.0  0.0  0.21  1.0

data_KNdS2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.29
_cell_length_b   4.21
_cell_length_c   7.76
_cell_angle_alpha   90.0
_cell_angle_beta   108.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KNdS2
_chemical_formula_sum   'K2 Nd2 S4'
_cell_volume   226.46
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  K  K0  2  0.0  0.0  0.0  1.0
  Nd  Nd1  2  0.0  0.0  0.94  1.0
  S  S2  2  0.0  0.0  0.1  1.0
  S  S3  2  0.0  0.0  0.79  1.0

K Nd S S
KNdS2 is Cyanogen Chloride-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two KNdS2 clusters. K(1) is bonded in a linear geometry to one Nd(1) and one S(1) atom. The K(1)-Nd(1) bond length is 0.44 Å. The K(1)-S(1) bond length is 0.74 Å. Nd(1) is bonded in a linear geometry to one K(1) and one S(2) atom. The Nd(1)-S(2) bond length is 1.18 Å. There are two inequivalent S sites. In the first S site, S(1) is bonded in a single-bond geometry to one K(1) atom. In the second S site, S(2) is bonded in a single-bond geometry to one Nd(1) atom.