data_[Al36Zn18W6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Zn  1.6500  1.3500  0.8800
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [11.7535]
_cell_length_b [11.7535]
_cell_length_c [8.1646]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Al6Zn3W]
_chemical_formula_sum '[Al36 Zn18 W6]'
_cell_volume [976.7865]
_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  18  0.0157  0.7793  0.0591  1
  Al  Al1  18  0.0763  0.8194  0.4488  1
  Zn  Zn2  18  0.0287  0.8592  0.7509  1
  W  W3  3  0.0000  0.0000  0.0000  1
  W  W4  3  0.0000  0.0000  0.5000  1
]