data_[Hf16Bi4Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Bi  2.0200  1.6000  1.0350
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.8736]
_cell_length_b [12.6651]
_cell_length_c [5.5694]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6669]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Hf4BiPd]
_chemical_formula_sum '[Hf16 Bi4 Pd4]'
_cell_volume [522.9793]
_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  0.0921  0.1939  0.0518  1.0
  Hf  Hf1  8  0.2145  0.3937  0.3653  1.0
  Bi  Bi2  4  0.0000  0.3993  0.7500  1.0
  Pd  Pd3  4  0.0000  0.0031  0.7500  1.0
]