data_[Al24W6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [5.2823]
_cell_length_b [17.8440]
_cell_length_c [5.2374]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.9498]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Al4W]
_chemical_formula_sum '[Al24 W6]'
_cell_volume [486.2392]
_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  4  0.1861  0.1188  0.7856  1.0
  Al  Al1  4  0.3140  0.2348  0.4164  1.0
  Al  Al2  4  0.3201  0.3760  0.1935  1.0
  Al  Al3  4  0.3413  0.0769  0.3131  1.0
  Al  Al4  4  0.4769  0.2501  0.9286  1.0
  Al  Al5  2  0.3541  0.5000  0.4869  1.0
  Al  Al6  2  0.4951  0.0000  0.8457  1.0
  W  W7  4  0.1712  0.3636  0.6701  1.0
  W  W8  2  0.0087  0.0000  0.0067  1.0
]