data_AlW2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29
_cell_length_b   5.29
_cell_length_c   5.29
_cell_angle_alpha   137.62
_cell_angle_beta   137.62
_cell_angle_gamma   61.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlW2Cl
_chemical_formula_sum   'Al1 W2 Cl1'
_cell_volume   66.53
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  W  W2  1  0.0  0.91  0.27  1.0
  W  W3  1  0.91  0.0  0.27  1.0
  Cl  Cl1  1  0.0  0.0  0.55  1.0

data_AlW2Cl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.41
_cell_length_b   5.41
_cell_length_c   5.29
_cell_angle_alpha   90.0
_cell_angle_beta   120.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AlW2Cl
_chemical_formula_sum   'Al2 W4 Cl2'
_cell_volume   133.06
_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
  Al  Al0  2  0.0  0.0  0.0  1.0
  W  W1  4  0.18  0.46  0.64  1.0
  Cl  Cl2  2  0.45  0.0  0.45  1.0

Al W W Cl