data_SnMo2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.95
_cell_length_b   4.95
_cell_length_c   4.95
_cell_angle_alpha   129.01
_cell_angle_beta   129.01
_cell_angle_gamma   75.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnMo2Se
_chemical_formula_sum   'Sn1 Mo2 Se1'
_cell_volume   71.45
_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
  Sn  Sn3  1  0.13  0.0  0.96  1.0
  Mo  Mo0  1  0.0  0.0  0.93  1.0
  Mo  Mo1  1  0.0  0.13  0.96  1.0
  Se  Se2  1  0.0  0.0  0.0  1.0

data_SnMo2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.26
_cell_length_b   4.26
_cell_length_c   4.95
_cell_angle_alpha   115.5
_cell_angle_beta   115.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnMo2Se
_chemical_formula_sum   'Sn1 Mo2 Se1'
_cell_volume   71.45
_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
  Sn  Sn0  1  0.96  0.83  0.83  1.0
  Mo  Mo1  1  0.83  0.96  0.83  1.0
  Mo  Mo2  1  0.93  0.93  0.93  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

Sn Mo Mo Se
Mo2SnSe is Copper structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Mo2SnSe cluster. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 3-coordinate geometry to one Mo(2), one Sn(1), and one Se(1) atom. The Mo(1)-Mo(2) bond length is 0.56 Å. The Mo(1)-Sn(1) bond length is 0.56 Å. The Mo(1)-Se(1) bond length is 0.35 Å. In the second Mo site, Mo(2) is bonded in a distorted single-bond geometry to one Mo(1) atom. Sn(1) is bonded in a single-bond geometry to one Mo(1) atom. Se(1) is bonded in a single-bond geometry to one Mo(1) atom.