data_Nb3W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.6
_cell_length_b   9.51
_cell_length_c   5.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb3W
_chemical_formula_sum   'Nb12 W4'
_cell_volume   287.45
_cell_formula_units_Z   4
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  0.09  0.38  0.68  1.0
  Nb  Nb1  1  0.36  0.14  0.01  1.0
  Nb  Nb2  1  0.36  0.62  0.01  1.0
  Nb  Nb3  1  0.45  0.9  0.7  1.0
  Nb  Nb4  1  0.45  0.37  0.7  1.0
  Nb  Nb5  1  0.71  0.14  0.98  1.0
  Nb  Nb6  1  0.89  0.38  0.41  1.0
  Nb  Nb7  1  0.16  0.14  0.69  1.0
  Nb  Nb8  1  0.16  0.62  0.69  1.0
  Nb  Nb9  1  0.25  0.9  0.39  1.0
  Nb  Nb10  1  0.25  0.37  0.39  1.0
  Nb  Nb11  1  0.51  0.14  0.71  1.0
  W  W12  1  0.16  0.14  0.44  1.0
  W  W13  1  0.64  0.38  0.75  1.0
  W  W14  1  0.96  0.14  0.65  1.0
  W  W15  1  0.44  0.38  0.95  1.0

data_Nb3W
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.39
_cell_length_b   5.6
_cell_length_c   9.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Nb3W
_chemical_formula_sum   'Nb12 W4'
_cell_volume   287.45
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.19  0.95  0.12  1.0
  Nb  Nb1  2  0.19  0.95  0.64  1.0
  Nb  Nb2  2  0.21  0.59  0.12  1.0
  Nb  Nb3  2  0.48  0.79  0.12  1.0
  Nb  Nb4  2  0.49  0.86  0.36  1.0
  Nb  Nb5  2  0.49  0.86  0.88  1.0
  W  W6  2  0.25  0.86  0.88  1.0
  W  W7  2  0.45  0.66  0.88  1.0

Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb W W W W