data_SiCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.73
_cell_length_b   6.73
_cell_length_c   7.46
_cell_angle_alpha   99.02
_cell_angle_beta   99.02
_cell_angle_gamma   31.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiCl
_chemical_formula_sum   'Si3 Cl3'
_cell_volume   174.98
_cell_formula_units_Z   3
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  0.09  0.0  0.38  1.0
  Si  Si4  1  0.51  0.0  0.23  1.0
  Si  Si5  1  0.06  0.0  0.28  1.0
  Cl  Cl0  1  0.64  0.0  0.25  1.0
  Cl  Cl1  1  0.99  0.0  0.94  1.0
  Cl  Cl2  1  0.28  0.0  0.75  1.0

data_SiCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.67
_cell_length_b   6.73
_cell_length_c   7.46
_cell_angle_alpha   99.02
_cell_angle_beta   90.0
_cell_angle_gamma   105.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiCl
_chemical_formula_sum   'Si3 Cl3'
_cell_volume   174.98
_cell_formula_units_Z   3
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  0.49  0.77  1.0
  Si  Si1  1  0.0  0.91  0.62  1.0
  Si  Si2  1  0.0  0.94  0.72  1.0
  Cl  Cl3  1  0.0  0.01  0.06  1.0
  Cl  Cl4  1  0.0  0.36  0.75  1.0
  Cl  Cl5  1  0.0  0.72  0.25  1.0

Si Si Si Cl Cl Cl
Si Si Si Cl Cl Cl 0 2 o o o 0 5 o o o 1 3 o o o 2 4 - o - 4 5 + o o 