data_[Hf16Co4Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Co  1.8800  1.3500  0.7683
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.8476]
_cell_length_b [11.1796]
_cell_length_c [5.4720]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.4515]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Hf4CoPd]
_chemical_formula_sum '[Hf16 Co4 Pd4]'
_cell_volume [462.7194]
_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  8  0.0949  0.1856  0.0454  1.0
  Hf  Hf1  8  0.2103  0.4135  0.4032  1.0
  Co  Co2  4  0.0000  0.0045  0.7500  1.0
  Pd  Pd3  4  0.0000  0.3851  0.7500  1.0
]