data_Sr2WCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.38
_cell_length_b   3.38
_cell_length_c   9.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2WCl
_chemical_formula_sum   'Sr2 W1 Cl1'
_cell_volume   103.84
_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
  Sr  Sr1  1  0.69  0.69  0.24  1.0
  Sr  Sr2  1  0.69  0.69  0.83  1.0
  W  W3  1  0.0  0.0  0.54  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_Sr2WCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.78
_cell_length_b   4.78
_cell_length_c   9.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sr2WCl
_chemical_formula_sum   'Sr4 W2 Cl2'
_cell_volume   207.68
_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+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Sr  Sr0  2  0.19  0.5  0.24  1.0
  Sr  Sr1  2  0.19  0.5  0.83  1.0
  W  W2  2  0.0  0.0  0.54  1.0
  Cl  Cl3  2  0.0  0.0  0.0  1.0

Sr Sr W Cl
Sr Sr W Cl 0 3 o + o 0 3 + o o 0 3 + + o 0 2 o + o 0 2 + o o 0 2 + + o 0 0 + o o 0 0 o + o 0 1 o o - 1 3 + + + 1 2 + + o 1 2 + o o 1 2 o + o 2 2 + o o 2 2 o + o 