data_NaLuS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.01
_cell_length_b   7.01
_cell_length_c   7.01
_cell_angle_alpha   32.35
_cell_angle_beta   32.35
_cell_angle_gamma   32.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLuS2
_chemical_formula_sum   'Na1 Lu1 S2'
_cell_volume   87.49
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Lu  Lu1  1  0.0  0.0  0.95  1.0
  S  S2  1  0.0  0.0  0.1  1.0
  S  S3  1  0.0  0.0  0.8  1.0

data_NaLuS2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.76
_cell_length_b   3.9
_cell_length_c   7.01
_cell_angle_alpha   90.0
_cell_angle_beta   108.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaLuS2
_chemical_formula_sum   'Na2 Lu2 S4'
_cell_volume   174.98
_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
  Na  Na0  2  0.0  0.0  0.0  1.0
  Lu  Lu1  2  0.0  0.0  0.05  1.0
  S  S2  2  0.0  0.0  0.2  1.0
  S  S3  2  0.0  0.0  0.9  1.0

Na Lu S S
NaLuS2 is Cyanogen Chloride-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two NaLuS2 clusters. Na(1) is bonded in a linear geometry to one Lu(1) and one S(1) atom. The Na(1)-Lu(1) bond length is 0.35 Å. The Na(1)-S(1) bond length is 0.67 Å. Lu(1) is bonded in a linear geometry to one Na(1) and one S(2) atom. The Lu(1)-S(2) bond length is 1.02 Å. There are two inequivalent S sites. In the first S site, S(1) is bonded in a single-bond geometry to one Na(1) atom. In the second S site, S(2) is bonded in a single-bond geometry to one Lu(1) atom.