data_[Al4W4O14]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.6722]
_cell_length_b [6.6876]
_cell_length_c [6.7182]
_cell_angle_alpha [66.6636]
_cell_angle_beta [66.8178]
_cell_angle_gamma [66.5028]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Al2W2O7]
_chemical_formula_sum '[Al4 W4 O14]'
_cell_volume [242.3323]
_cell_formula_units_Z [2]
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  0.0000  0.0000  0.5000  1
  Al  Al1  1  0.0000  0.5000  0.0000  1
  Al  Al2  1  0.0000  0.5000  0.5000  1
  Al  Al3  1  0.5000  0.5000  0.5000  1
  W  W4  1  0.0000  0.0000  0.0000  1
  W  W5  1  0.5000  0.0000  0.0000  1
  W  W6  1  0.5000  0.0000  0.5000  1
  W  W7  1  0.5000  0.5000  0.0000  1
  O  O8  2  0.1157  0.6263  0.6293  1
  O  O9  2  0.1239  0.0779  0.6636  1
  O  O10  2  0.1620  0.6303  0.0740  1
  O  O11  2  0.1773  0.1813  0.0032  1
  O  O12  2  0.3211  0.9860  0.3304  1
  O  O13  2  0.3985  0.3433  0.3814  1
  O  O14  2  0.4919  0.3308  0.8163  1
]