data_NaW2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.0
_cell_length_b   7.0
_cell_length_c   3.02
_cell_angle_alpha   102.33
_cell_angle_beta   102.33
_cell_angle_gamma   136.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaW2Cl
_chemical_formula_sum   'Na1 W2 Cl1'
_cell_volume   83.41
_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
  Na  Na1  1  0.0  0.0  0.0  1.0
  W  W2  1  0.3  0.25  0.0  1.0
  W  W3  1  0.3  0.75  0.0  1.0
  Cl  Cl0  1  0.59  0.0  0.0  1.0

data_NaW2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.02
_cell_length_b   4.24
_cell_length_c   7.0
_cell_angle_alpha   107.52
_cell_angle_beta   102.33
_cell_angle_gamma   90.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaW2Cl
_chemical_formula_sum   'Na1 W2 Cl1'
_cell_volume   83.41
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  W  W1  1  0.25  0.25  0.55  1.0
  W  W2  1  0.75  0.75  0.04  1.0
  Cl  Cl3  1  -0.0  0.0  0.59  1.0

Na W W Cl