data_SiSeCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.11
_cell_length_b   7.11
_cell_length_c   7.11
_cell_angle_alpha   155.08
_cell_angle_beta   137.53
_cell_angle_gamma   49.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiSeCl2
_chemical_formula_sum   'Si1 Se1 Cl2'
_cell_volume   101.92
_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  0.0  0.0  0.0  1.0
  Se  Se2  1  0.0  0.0  0.45  1.0
  Cl  Cl0  1  0.53  0.0  0.88  1.0
  Cl  Cl1  1  0.0  0.58  0.57  1.0

data_SiSeCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   5.15
_cell_length_c   7.11
_cell_angle_alpha   111.23
_cell_angle_beta   102.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiSeCl2
_chemical_formula_sum   'Si1 Se1 Cl2'
_cell_volume   101.92
_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  0.0  0.0  1.0
  Se  Se1  1  0.0  0.45  0.45  1.0
  Cl  Cl2  1  0.0  0.88  0.34  1.0
  Cl  Cl3  1  0.42  0.99  0.99  1.0

Si Se Cl Cl