data_[Hf9Al24W3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Al  1.6100  1.2500  0.6750
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.2052]
_cell_length_b [5.2052]
_cell_length_c [25.6098]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Hf3Al8W]
_chemical_formula_sum '[Hf9 Al24 W3]'
_cell_volume [600.9165]
_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
[
  Hf  Hf0  3  0.0000  0.0000  0.3747  1.0
  Hf  Hf1  3  0.0000  0.0000  0.5022  1.0
  Hf  Hf2  3  0.0000  0.0000  0.9970  1.0
  Al  Al3  9  0.1670  0.3340  0.7716  1.0
  Al  Al4  9  0.1674  0.3347  0.2702  1.0
  Al  Al5  3  0.0000  0.0000  0.1876  1.0
  Al  Al6  3  0.0000  0.0000  0.6870  1.0
  W  W7  3  0.0000  0.0000  0.8760  1.0
]