data_[Hf4Sb4Pd20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Sb  2.0500  1.4500  0.8300
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [6.8857]
_cell_length_b [7.7301]
_cell_length_c [9.5930]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6851]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [HfSbPd5]
_chemical_formula_sum '[Hf4 Sb4 Pd20]'
_cell_volume [480.7668]
_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  0.4933  0.2500  1
  Sb  Sb1  4  0.0000  0.0000  0.0000  1
  Pd  Pd2  8  0.1037  0.3427  0.5364  1
  Pd  Pd3  8  0.2023  0.1888  0.8451  1
  Pd  Pd4  4  0.0000  0.1423  0.2500  1
]