data_SiWCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.69
_cell_length_b   4.69
_cell_length_c   2.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiWCl2
_chemical_formula_sum   'Si1 W1 Cl2'
_cell_volume   65.59
_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  Si2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.35  0.35  0.0  1.0
  Cl  Cl0  1  0.35  0.0  0.49  1.0
  Cl  Cl1  1  0.0  0.35  0.49  1.0

data_SiWCl2
_symmetry_space_group_name_H-M   Amm2
_cell_length_a   2.98
_cell_length_b   6.63
_cell_length_c   6.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   38
_chemical_formula_structural   SiWCl2
_chemical_formula_sum   'Si2 W2 Cl4'
_cell_volume   131.18
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z'
  3  '-x, y, z'
  4  'x, -y, z'
  5  'x, y+1/2, z+1/2'
  6  '-x, -y+1/2, z+1/2'
  7  '-x, y+1/2, z+1/2'
  8  'x, -y+1/2, z+1/2'
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  0.0  0.0  0.0  1.0
  W  W1  2  0.0  0.0  0.35  1.0
  Cl  Cl2  4  0.5  0.17  0.17  1.0

Si W Cl Cl
Si W Cl Cl 0 2 o o - 0 2 o o o 0 3 o o - 0 3 o o o 0 1 o o o 1 3 o o - 1 3 o o o 1 2 o o - 1 2 o o o 2 3 o o o 