data_SiMo2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.7
_cell_length_b   4.7
_cell_length_c   4.54
_cell_angle_alpha   105.43
_cell_angle_beta   105.43
_cell_angle_gamma   39.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiMo2Se
_chemical_formula_sum   'Si1 Mo2 Se1'
_cell_volume   60.97
_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
  Si  Si3  1  0.33  0.0  0.84  1.0
  Mo  Mo0  1  0.98  0.0  0.3  1.0
  Mo  Mo1  1  0.27  0.0  0.06  1.0
  Se  Se2  1  0.76  0.0  0.32  1.0

data_SiMo2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   4.54
_cell_length_c   4.7
_cell_angle_alpha   105.43
_cell_angle_beta   109.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiMo2Se
_chemical_formula_sum   'Si1 Mo2 Se1'
_cell_volume   60.97
_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
  Si  Si0  1  0.0  0.84  0.33  1.0
  Mo  Mo1  1  0.0  0.06  0.27  1.0
  Mo  Mo2  1  0.0  0.3  0.98  1.0
  Se  Se3  1  0.0  0.32  0.76  1.0

Si Mo Mo Se
Si Mo Mo Se 0 2 o o + 1 3 o o o 
MoSiMoSe crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one 12058-19-4 molecule and one selanylidenemolybdenum molecule.