data_Mo2WSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.82
_cell_length_b   2.82
_cell_length_c   8.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo2WSe
_chemical_formula_sum   'Mo2 W1 Se1'
_cell_volume   66.1
_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
  Mo  Mo0  1  0.0  0.0  0.89  1.0
  Mo  Mo1  1  0.6  0.0  0.74  1.0
  W  W3  1  0.6  0.0  0.15  1.0
  Se  Se2  1  0.0  0.0  0.46  1.0

data_Mo2WSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   2.82
_cell_length_c   8.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo2WSe
_chemical_formula_sum   'Mo2 W1 Se1'
_cell_volume   66.1
_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
  Mo  Mo0  1  0.0  0.0  0.89  1.0
  Mo  Mo1  1  0.6  0.0  0.74  1.0
  W  W2  1  0.6  0.0  0.15  1.0
  Se  Se3  1  0.0  0.0  0.46  1.0

Mo Mo W Se
WMo2Se crystallizes in the triclinic P1 space group. W(1) is bonded in a 8-coordinate geometry to four equivalent W(1), two equivalent Mo(1), and two equivalent Se(1) atoms. All W(1)-W(1) bond lengths are 2.82 Å. There is one shorter (2.60 Å) and one longer (2.87 Å) W(1)-Mo(1) bond length. There is one shorter (2.97 Å) and one longer (3.22 Å) W(1)-Se(1) bond length. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 4-coordinate geometry to two equivalent W(1) and two equivalent Mo(2) atoms. There is one shorter (1.73 Å) and one longer (2.12 Å) Mo(1)-Mo(2) bond length. In the second Mo site, Mo(2) is bonded in a 3-coordinate geometry to two equivalent Mo(1) and two equivalent Se(1) atoms. There is one shorter (2.77 Å) and one longer (3.03 Å) Mo(2)-Se(1) bond length. Se(1) is bonded in a 8-coordinate geometry to two equivalent W(1), two equivalent Mo(2), and four equivalent Se(1) atoms. All Se(1)-Se(1) bond lengths are 2.82 Å.