data_Si3Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.22
_cell_length_b   8.23
_cell_length_c   5.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si3Se
_chemical_formula_sum   'Si12 Se4'
_cell_volume   298.86
_cell_formula_units_Z   4
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  Si4  1  0.06  0.17  0.68  1.0
  Si  Si5  1  0.56  0.06  0.2  1.0
  Si  Si6  1  0.67  0.17  0.83  1.0
  Si  Si7  1  0.17  0.06  0.34  1.0
  Si  Si8  1  0.64  0.54  0.26  1.0
  Si  Si9  1  0.97  0.69  0.74  1.0
  Si  Si10  1  0.26  0.58  0.28  1.0
  Si  Si11  1  0.58  0.65  0.77  1.0
  Si  Si12  1  0.58  0.69  0.77  1.0
  Si  Si13  1  0.26  0.54  0.28  1.0
  Si  Si14  1  0.97  0.65  0.74  1.0
  Si  Si15  1  0.64  0.58  0.26  1.0
  Se  Se0  1  0.16  0.17  0.28  1.0
  Se  Se1  1  0.68  0.06  0.77  1.0
  Se  Se2  1  0.55  0.17  0.26  1.0
  Se  Se3  1  0.07  0.06  0.75  1.0

data_Si3Se
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.03
_cell_length_b   7.22
_cell_length_c   8.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Si3Se
_chemical_formula_sum   'Si12 Se4'
_cell_volume   298.86
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.18  0.44  0.94  1.0
  Si  Si1  2  0.24  0.53  0.46  1.0
  Si  Si2  2  0.24  0.53  0.42  1.0
  Si  Si3  2  0.27  0.14  0.46  1.0
  Si  Si4  2  0.27  0.14  0.42  1.0
  Si  Si5  2  0.33  0.06  0.94  1.0
  Se  Se6  2  0.25  0.43  0.06  1.0
  Se  Se7  2  0.27  0.05  0.06  1.0

Si Si Si Si Si Si Si Si Si Si Si Si Se Se Se Se
Si Si Si Si Si Si Si Si Si Si Si Si Se Se Se Se 0 15 o o o 1 14 o o o 2 13 o o o 3 12 o o o 4 11 o o o 5 10 o o o 6 9 o o o 7 8 o o o 