data_[Hf9Nb3Al24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Nb  1.6000  1.4500  0.8200
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.2429]
_cell_length_b [5.2429]
_cell_length_c [25.6733]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Hf3NbAl8]
_chemical_formula_sum '[Hf9 Nb3 Al24]'
_cell_volume [611.1661]
_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  0.0009  1
  Hf  Hf1  3  0.0000  0.0000  0.4987  1
  Hf  Hf2  3  0.0000  0.0000  0.6255  1
  Nb  Nb3  3  0.0000  0.0000  0.1254  1
  Al  Al4  9  0.0002  0.5001  0.5620  1
  Al  Al5  9  0.0005  0.5003  0.0628  1
  Al  Al6  3  0.0000  0.0000  0.3127  1
  Al  Al7  3  0.0000  0.0000  0.8124  1
]