data_NbW2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.82
_cell_length_b   4.82
_cell_length_c   5.15
_cell_angle_alpha   108.02
_cell_angle_beta   108.02
_cell_angle_gamma   37.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbW2Cl
_chemical_formula_sum   'Nb1 W2 Cl1'
_cell_volume   69.12
_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
  Nb  Nb1  1  0.84  0.0  0.33  1.0
  W  W2  1  0.31  0.0  0.17  1.0
  W  W3  1  0.63  0.0  0.97  1.0
  Cl  Cl0  1  0.36  0.0  0.83  1.0

data_NbW2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   4.82
_cell_length_c   5.15
_cell_angle_alpha   108.02
_cell_angle_beta   90.0
_cell_angle_gamma   108.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbW2Cl
_chemical_formula_sum   'Nb1 W2 Cl1'
_cell_volume   69.12
_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
  Nb  Nb0  1  0.0  0.16  0.67  1.0
  W  W1  1  0.0  0.37  0.03  1.0
  W  W2  1  0.0  0.69  0.83  1.0
  Cl  Cl3  1  0.0  0.64  0.17  1.0

Nb W W Cl