data_[Hf6Ge6Pd6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Ge  2.0100  1.2500  0.7700
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.7133]
_cell_length_b [3.9700]
_cell_length_c [11.5405]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1023]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [HfGePd]
_chemical_formula_sum '[Hf6 Ge6 Pd6]'
_cell_volume [307.5733]
_cell_formula_units_Z [6]
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  2  0.0296  0.7500  0.7076  1.0
  Hf  Hf1  2  0.3387  0.2500  0.0793  1.0
  Hf  Hf2  2  0.4680  0.2500  0.3778  1.0
  Ge  Ge3  2  0.2487  0.2500  0.5841  1.0
  Ge  Ge4  2  0.2507  0.7500  0.9159  1.0
  Ge  Ge5  2  0.2613  0.7500  0.2501  1.0
  Pd  Pd6  2  0.0034  0.7500  0.0910  1.0
  Pd  Pd7  2  0.1426  0.7500  0.4586  1.0
  Pd  Pd8  2  0.3716  0.2500  0.7941  1.0
]