data_[Al8W8]
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 [P4/m]
_cell_length_a [7.7894]
_cell_length_b [7.7894]
_cell_length_c [4.5012]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [83]
_chemical_formula_structural [AlW]
_chemical_formula_sum '[Al8 W8]'
_cell_volume [273.1067]
_cell_formula_units_Z [8]
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  0.0358  0.6749  0.0000  1
  Al  Al1  4  0.1281  0.2060  0.5000  1
  W  W2  4  0.1678  0.5327  0.5000  1
  W  W3  4  0.2964  0.3758  0.0000  1
]