data_[Hf4Al4Ga16]
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
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [I4_1md]
_cell_length_a [8.6192]
_cell_length_b [8.6192]
_cell_length_c [7.9156]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [109]
_chemical_formula_structural [HfAlGa4]
_chemical_formula_sum '[Hf4 Al4 Ga16]'
_cell_volume [588.0554]
_cell_formula_units_Z [4]
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  4  0.0000  0.0000  0.5505  1
  Al  Al1  4  0.0000  0.0000  0.9349  1
  Ga  Ga2  8  0.0000  0.2595  0.0255  1
  Ga  Ga3  8  0.0000  0.3344  0.4818  1
]