data_[Hf4Ni4Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Ni  1.9100  1.3500  0.7400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.0375]
_cell_length_b [3.4136]
_cell_length_c [6.5178]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.3733]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [HfNiPd]
_chemical_formula_sum '[Hf4 Ni4 Pd4]'
_cell_volume [188.4992]
_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  2  0.0000  0.5000  0.0000  1.0
  Hf  Hf1  2  0.0000  0.5000  0.5000  1.0
  Ni  Ni2  4  0.1595  0.0000  0.8445  1.0
  Pd  Pd3  4  0.1696  0.0000  0.3192  1.0
]