data_SnPSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.86
_cell_length_b   5.86
_cell_length_c   5.86
_cell_angle_alpha   144.3
_cell_angle_beta   137.31
_cell_angle_gamma   56.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnPSe
_chemical_formula_sum   'Sn1 P1 Se1'
_cell_volume   79.0
_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  Sn2  1  0.0  0.0  0.57  1.0
  P  P0  1  0.0  0.0  0.73  1.0
  Se  Se1  1  0.0  0.0  0.01  1.0

data_SnPSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.59
_cell_length_b   4.27
_cell_length_c   5.86
_cell_angle_alpha   111.35
_cell_angle_beta   107.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnPSe
_chemical_formula_sum   'Sn1 P1 Se1'
_cell_volume   79.0
_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  0.0  0.57  0.57  1.0
  P  P1  1  0.0  0.73  0.73  1.0
  Se  Se2  1  0.0  0.01  0.01  1.0

Sn P Se
SnPSe crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one SnPSe cluster. Sn(1) is bonded in a single-bond geometry to one P(1) atom. The Sn(1)-P(1) bond length is 0.98 Å. P(1) is bonded in a linear geometry to one Sn(1) and one Se(1) atom. The P(1)-Se(1) bond length is 1.61 Å. Se(1) is bonded in a single-bond geometry to one P(1) atom.