data_[Hf24Sn12Pd4]
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 [Cmc2_1]
_cell_length_a [9.3800]
_cell_length_b [16.3223]
_cell_length_c [5.7511]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Hf6Sn3Pd]
_chemical_formula_sum '[Hf24 Sn12 Pd4]'
_cell_volume [880.5037]
_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  0.1662  0.2484  0.7641  1
  Hf  Hf1  8  0.1860  0.4257  0.0845  1
  Hf  Hf2  4  0.0000  0.0176  0.8010  1
  Hf  Hf3  4  0.0000  0.2752  0.2252  1
  Sn  Sn4  8  0.1887  0.1069  0.0951  1
  Sn  Sn5  4  0.0000  0.4147  0.5844  1
  Pd  Pd6  4  0.0000  0.1427  0.4874  1
]