data_[Hf2Zn6Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Zn  1.6500  1.3500  0.8800
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [9.0720]
_cell_length_b [5.8845]
_cell_length_c [4.6204]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [HfZn3Pd4]
_chemical_formula_sum '[Hf2 Zn6 Pd8]'
_cell_volume [246.6545]
_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  2  0.0000  0.5000  0.0000  1
  Zn  Zn1  2  0.0000  0.0000  0.0000  1
  Zn  Zn2  2  0.2500  0.0000  0.5821  1
  Zn  Zn3  2  0.2500  0.5000  0.5686  1
  Pd  Pd4  4  0.0000  0.2424  0.5000  1
  Pd  Pd5  4  0.2500  0.2404  0.0833  1
]