data_TiW2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.4
_cell_length_b   5.4
_cell_length_c   4.34
_cell_angle_alpha   92.2
_cell_angle_beta   92.2
_cell_angle_gamma   32.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiW2Cl
_chemical_formula_sum   'Ti1 W2 Cl1'
_cell_volume   68.56
_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
  Ti  Ti1  1  0.09  0.0  0.17  1.0
  W  W2  1  0.03  0.0  0.22  1.0
  W  W3  1  0.16  0.0  0.11  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_TiW2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   4.34
_cell_length_c   5.4
_cell_angle_alpha   92.2
_cell_angle_beta   106.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiW2Cl
_chemical_formula_sum   'Ti1 W2 Cl1'
_cell_volume   68.56
_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
  Ti  Ti0  1  0.0  0.17  0.09  1.0
  W  W1  1  0.0  0.11  0.16  1.0
  W  W2  1  0.0  0.22  0.03  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Ti W W Cl