data_[Hf4Sb2Pd16]
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 [Immm]
_cell_length_a [4.6871]
_cell_length_b [5.8011]
_cell_length_c [14.0094]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Hf2SbPd8]
_chemical_formula_sum '[Hf4 Sb2 Pd16]'
_cell_volume [380.9228]
_cell_formula_units_Z [2]
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  0.5000  0.1883  1
  Sb  Sb1  2  0.0000  0.5000  0.5000  1
  Pd  Pd2  8  0.0000  0.2361  0.3556  1
  Pd  Pd3  4  0.0000  0.0000  0.1834  1
  Pd  Pd4  4  0.0000  0.2559  0.0000  1
]