data_Al3W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39
_cell_length_b   13.61
_cell_length_c   5.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3W
_chemical_formula_sum   'Al18 W6'
_cell_volume   366.43
_cell_formula_units_Z   6
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  0.05  0.24  0.72  1.0
  Al  Al1  1  0.05  0.38  0.72  1.0
  Al  Al2  1  0.04  0.81  0.73  1.0
  Al  Al3  1  0.04  0.0  0.26  1.0
  Al  Al4  1  0.03  0.04  0.28  1.0
  Al  Al5  1  0.03  0.57  0.28  1.0
  Al  Al6  1  0.0  0.0  0.62  1.0
  Al  Al7  1  0.0  0.03  0.73  1.0
  Al  Al8  1  0.0  0.58  0.73  1.0
  Al  Al9  1  0.34  0.24  0.72  1.0
  Al  Al10  1  0.34  0.38  0.72  1.0
  Al  Al11  1  0.35  0.81  0.73  1.0
  Al  Al12  1  0.34  0.0  0.26  1.0
  Al  Al13  1  0.36  0.04  0.28  1.0
  Al  Al14  1  0.36  0.57  0.28  1.0
  Al  Al15  1  0.69  0.81  0.38  1.0
  Al  Al16  1  0.69  0.22  0.27  1.0
  Al  Al17  1  0.69  0.39  0.27  1.0
  W  W18  1  0.0  0.81  0.16  1.0
  W  W19  1  0.0  0.36  0.17  1.0
  W  W20  1  0.0  0.25  0.17  1.0
  W  W21  1  0.69  0.0  0.84  1.0
  W  W22  1  0.69  0.17  0.83  1.0
  W  W23  1  0.69  0.44  0.83  1.0

data_Al3W
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.0
_cell_length_b   5.39
_cell_length_c   13.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3W
_chemical_formula_sum   'Al18 W6'
_cell_volume   366.43
_cell_formula_units_Z   6
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  0.26  0.04  0.0  1.0
  Al  Al1  1  0.26  0.34  0.0  1.0
  Al  Al2  1  0.27  0.69  0.22  1.0
  Al  Al3  1  0.27  0.69  0.39  1.0
  Al  Al4  1  0.28  0.03  0.04  1.0
  Al  Al5  1  0.28  0.03  0.57  1.0
  Al  Al6  1  0.28  0.36  0.04  1.0
  Al  Al7  1  0.28  0.36  0.57  1.0
  Al  Al8  1  0.38  0.69  0.81  1.0
  Al  Al9  1  0.62  0.0  0.0  1.0
  Al  Al10  1  0.72  0.05  0.24  1.0
  Al  Al11  1  0.72  0.05  0.38  1.0
  Al  Al12  1  0.72  0.34  0.24  1.0
  Al  Al13  1  0.72  0.34  0.38  1.0
  Al  Al14  1  0.73  -0.0  0.58  1.0
  Al  Al15  1  0.73  -0.0  0.03  1.0
  Al  Al16  1  0.73  0.04  0.81  1.0
  Al  Al17  1  0.73  0.35  0.81  1.0
  W  W18  1  0.16  -0.0  0.81  1.0
  W  W19  1  0.17  -0.0  0.36  1.0
  W  W20  1  0.17  -0.0  0.25  1.0
  W  W21  1  0.83  0.69  0.17  1.0
  W  W22  1  0.83  0.69  0.44  1.0
  W  W23  1  0.84  0.69  0.0  1.0

Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al W W W W W W
Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al W W W W W W 0 9 o o o 0 22 - o o 1 10 o o o 1 8 o o o 1 23 - o o 2 11 o o o 2 18 o o + 3 4 o o o 5 14 o o o 5 8 o o o 5 8 o o - 6 7 o o o 6 21 - o o 7 21 - o o 7 22 - o o 8 23 - o o 9 22 o o o 10 23 o o o 12 13 o o o 15 18 + o o 16 20 + o o 16 22 o o - 17 19 + o o 17 23 o o - 19 20 o o o 19 23 - o - 20 22 - o - 21 22 o o o 