data_NaWSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.48
_cell_length_b   3.48
_cell_length_c   8.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   121.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaWSe2
_chemical_formula_sum   'Na1 W1 Se2'
_cell_volume   86.04
_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
  W  W3  1  0.0  0.0  0.17  1.0
  Se  Se1  1  0.7  0.0  0.3  1.0
  Se  Se2  1  0.7  0.0  0.03  1.0

data_NaWSe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.48
_cell_length_b   5.94
_cell_length_c   8.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaWSe2
_chemical_formula_sum   'Na2 W2 Se4'
_cell_volume   172.13
_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
  W  W1  2  0.0  0.0  0.83  1.0
  Se  Se2  2  0.3  0.0  0.7  1.0
  Se  Se3  2  0.3  0.0  0.97  1.0

Na W Se Se
NaWSe2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one NaWSe2 cluster. Na(1) is bonded in a 2-coordinate geometry to one W(1) and one Se(2) atom. The Na(1)-W(1) bond length is 1.40 Å. The Na(1)-Se(2) bond length is 1.08 Å. W(1) is bonded in a 1-coordinate geometry to one Na(1) and one Se(1) atom. The W(1)-Se(1) bond length is 1.53 Å. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted single-bond geometry to one W(1) atom. In the second Se site, Se(2) is bonded in a distorted single-bond geometry to one Na(1) atom.