data_[Hf8Sn8Pd20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Sn  1.9600  1.4500  0.8300
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [5.6019]
_cell_length_b [13.8478]
_cell_length_c [8.7372]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [Hf2Sn2Pd5]
_chemical_formula_sum '[Hf8 Sn8 Pd20]'
_cell_volume [677.7763]
_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  8  0.0000  0.1273  0.0195  1
  Sn  Sn1  4  0.0000  0.0000  0.5000  1
  Sn  Sn2  4  0.0000  0.2500  0.5216  1
  Pd  Pd3  8  0.2500  0.0450  0.2500  1
  Pd  Pd4  8  0.2500  0.1526  0.7500  1
  Pd  Pd5  4  0.2500  0.2500  0.2500  1
]