data_V2WSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.4
_cell_length_b   4.4
_cell_length_c   3.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   103.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2WSe
_chemical_formula_sum   'V2 W1 Se1'
_cell_volume   58.69
_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
  V  V1  1  0.37  0.72  0.55  1.0
  V  V2  1  0.37  0.28  0.55  1.0
  W  W3  1  0.74  0.0  0.0  1.0
  Se  Se0  1  0.0  0.0  0.0  1.0

data_V2WSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   4.4
_cell_length_c   4.4
_cell_angle_alpha   103.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2WSe
_chemical_formula_sum   'V2 W1 Se1'
_cell_volume   58.69
_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
  V  V0  1  0.55  0.37  0.28  1.0
  V  V1  1  0.55  0.37  0.72  1.0
  W  W2  1  0.0  0.74  0.0  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

V V W Se
V V W Se 0 1 o + o 0 1 o o o 0 2 o + o 0 2 o + + 1 3 o o o 1 3 o o + 2 3 + o o 
V2WSe crystallizes in the triclinic P1 space group. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to two equivalent V(2), two equivalent W(1), and two equivalent Se(1) atoms. There is one shorter (1.96 Å) and one longer (2.44 Å) V(1)-V(2) bond length. There is one shorter (2.27 Å) and one longer (2.49 Å) V(1)-W(1) bond length. There is one shorter (2.64 Å) and one longer (2.83 Å) V(1)-Se(1) bond length. In the second V site, V(2) is bonded in a 6-coordinate geometry to two equivalent V(1), two equivalent W(1), and two equivalent Se(1) atoms. There is one shorter (2.64 Å) and one longer (2.83 Å) V(2)-W(1) bond length. There is one shorter (2.27 Å) and one longer (2.49 Å) V(2)-Se(1) bond length. W(1) is bonded in a 5-coordinate geometry to two equivalent V(1), two equivalent V(2), and one Se(1) atom. The W(1)-Se(1) bond length is 1.14 Å. Se(1) is bonded in a 5-coordinate geometry to two equivalent V(1), two equivalent V(2), and one W(1) atom.