data_[Al6W10]
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 [Cmmm]
_cell_length_a [8.6954]
_cell_length_b [8.7022]
_cell_length_c [3.2984]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Al3W5]
_chemical_formula_sum '[Al6 W10]'
_cell_volume [249.5928]
_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  4  0.2467  0.0000  0.5000  1
  Al  Al1  2  0.0000  0.5000  0.0000  1
  W  W2  4  0.0000  0.2539  0.5000  1
  W  W3  4  0.2500  0.2500  0.0000  1
  W  W4  2  0.0000  0.0000  0.0000  1
]