data_[Hf4Pd4F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Pd  2.2000  1.4000  0.8462
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [14.2945]
_cell_length_b [3.0074]
_cell_length_c [5.2092]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [HfPdF]
_chemical_formula_sum '[Hf4 Pd4 F4]'
_cell_volume [223.9353]
_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  4  0.1561  0.0000  0.2698  1
  Pd  Pd1  2  0.0000  0.0000  0.6031  1
  Pd  Pd2  2  0.5000  0.0000  0.3173  1
  F  F3  4  0.2564  0.0000  0.6032  1
]