data_W2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.11
_cell_length_b   6.11
_cell_length_c   6.11
_cell_angle_alpha   151.44
_cell_angle_beta   151.44
_cell_angle_gamma   40.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   W2Cl
_chemical_formula_sum   'W2 Cl1'
_cell_volume   51.98
_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
  W  W1  1  0.0  0.0  0.66  1.0
  W  W2  1  0.0  0.0  0.79  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_W2Cl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.26
_cell_length_b   4.26
_cell_length_c   6.11
_cell_angle_alpha   90.0
_cell_angle_beta   110.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   W2Cl
_chemical_formula_sum   'W4 Cl2'
_cell_volume   103.96
_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
  W  W0  2  0.16  0.5  0.66  1.0
  W  W1  2  0.29  0.5  0.79  1.0
  Cl  Cl2  2  0.0  0.0  0.0  1.0

W W Cl
W W Cl 0 1 o o o 1 2 o o + 