data_[Hf16Cu20Si24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Cu  1.9000  1.3500  0.8200
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.8899]
_cell_length_b [17.2923]
_cell_length_c [14.0160]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Hf4Cu5Si6]
_chemical_formula_sum '[Hf16 Cu20 Si24]'
_cell_volume [942.7837]
_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  0.0184  0.4995  1
  Hf  Hf1  4  0.0000  0.0330  0.7652  1
  Hf  Hf2  4  0.0000  0.1668  0.3054  1
  Hf  Hf3  4  0.0000  0.1782  0.9413  1
  Si  Si4  4  0.0000  0.1121  0.1158  1
  Cu  Cu5  4  0.0000  0.1488  0.6251  1
  Si  Si6  4  0.0000  0.2217  0.4872  1
  Si  Si7  4  0.0000  0.2283  0.7598  1
  Cu  Cu8  4  0.0000  0.3031  0.6204  1
  Cu  Cu9  4  0.0000  0.3441  0.2762  1
  Cu  Cu10  4  0.0000  0.3527  0.9792  1
  Si  Si11  4  0.0000  0.4296  0.4102  1
  Si  Si12  4  0.0000  0.4317  0.1299  1
  Cu  Cu13  4  0.0000  0.4371  0.6860  1
  Si  Si14  4  0.0000  0.4415  0.8543  1
]