data_[Hf16U4Si16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  U  1.3800  1.7500  0.9913
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [P4_1]
_cell_length_a [7.1684]
_cell_length_b [7.1684]
_cell_length_c [13.0789]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [76]
_chemical_formula_structural [Hf4USi4]
_chemical_formula_sum '[Hf16 U4 Si16]'
_cell_volume [672.0792]
_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  0.0022  0.3523  0.1232  1
  Hf  Hf1  4  0.1483  0.5040  0.3760  1
  Hf  Hf2  4  0.1748  0.6761  0.0016  1
  Hf  Hf3  4  0.3490  0.4999  0.7855  1
  U  U4  4  0.0037  0.1515  0.7153  1
  Si  Si5  4  0.0519  0.7910  0.8136  1
  Si  Si6  4  0.1499  0.3000  0.9295  1
  Si  Si7  4  0.2087  0.3637  0.5696  1
  Si  Si8  4  0.3031  0.5463  0.1857  1
]