data_[Hf1Nb2Pd9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Nb  1.6000  1.4500  0.8200
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.9922]
_cell_length_b [3.9922]
_cell_length_c [11.9956]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [HfNb2Pd9]
_chemical_formula_sum '[Hf1 Nb2 Pd9]'
_cell_volume [191.1838]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1
  Nb  Nb1  2  0.0000  0.0000  0.3346  1
  Pd  Pd2  4  0.0000  0.5000  0.1678  1
  Pd  Pd3  2  0.0000  0.5000  0.5000  1
  Pd  Pd4  2  0.5000  0.5000  0.3338  1
  Pd  Pd5  1  0.5000  0.5000  0.0000  1
]