data_Na2WSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.2
_cell_length_b   4.99
_cell_length_c   4.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2WSe
_chemical_formula_sum   'Na2 W1 Se1'
_cell_volume   79.58
_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  0.52  0.5  0.26  1.0
  Na  Na1  1  0.61  0.5  0.72  1.0
  W  W3  1  0.97  0.0  0.49  1.0
  Se  Se2  1  0.0  0.0  0.0  1.0

data_Na2WSe
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.2
_cell_length_b   4.99
_cell_length_c   4.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Na2WSe
_chemical_formula_sum   'Na2 W1 Se1'
_cell_volume   79.58
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.52  0.5  0.26  1.0
  Na  Na1  1  0.61  0.5  0.72  1.0
  W  W2  1  0.97  0.0  0.49  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

Na Na W Se
Na2WSe crystallizes in the triclinic P1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 12-coordinate geometry to two equivalent Na(1), two equivalent Na(2), four equivalent W(1), and four equivalent Se(1) atoms. Both Na(1)-Na(1) bond lengths are 3.20 Å. There is one shorter (2.34 Å) and one longer (2.67 Å) Na(1)-Na(2) bond length. There are a spread of Na(1)-W(1) bond distances ranging from 3.08-3.30 Å. There are a spread of Na(1)-Se(1) bond distances ranging from 3.19-3.27 Å. In the second Na site, Na(2) is bonded in a 12-coordinate geometry to two equivalent Na(1), two equivalent Na(2), four equivalent W(1), and four equivalent Se(1) atoms. Both Na(2)-Na(2) bond lengths are 3.20 Å. There are a spread of Na(2)-W(1) bond distances ranging from 2.97-3.44 Å. There are a spread of Na(2)-Se(1) bond distances ranging from 3.09-3.48 Å. W(1) is bonded in a 12-coordinate geometry to four equivalent Na(1), four equivalent Na(2), two equivalent W(1), and two equivalent Se(1) atoms. Both W(1)-W(1) bond lengths are 3.20 Å. There is one shorter (2.44 Å) and one longer (2.54 Å) W(1)-Se(1) bond length. Se(1) is bonded in a 10-coordinate geometry to four equivalent Na(1), four equivalent Na(2), and two equivalent W(1) atoms.