data_[Al18Ga36W3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Ga  1.8100  1.3000  0.7600
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [8.9933]
_cell_length_b [8.9933]
_cell_length_c [14.7707]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Al6Ga12W]
_chemical_formula_sum '[Al18 Ga36 W3]'
_cell_volume [1034.5913]
_cell_formula_units_Z [3]
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  18  0.0211  0.4966  0.3461  1.0
  Ga  Ga1  18  0.0155  0.1831  0.8428  1.0
  Ga  Ga2  18  0.1044  0.5474  0.0881  1.0
  W  W3  3  0.0000  0.0000  0.0000  1.0
]