data_[Hf24Co8Pd4]
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 [Immm]
_cell_length_a [8.3135]
_cell_length_b [8.5677]
_cell_length_c [9.6142]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Hf6Co2Pd]
_chemical_formula_sum '[Hf24 Co8 Pd4]'
_cell_volume [684.7935]
_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  0.0000  0.1979  0.2310  1.0
  Hf  Hf1  8  0.1952  0.5000  0.1704  1.0
  Hf  Hf2  8  0.1997  0.3125  0.5000  1.0
  Co  Co3  4  0.0000  0.3409  0.0000  1.0
  Co  Co4  4  0.0000  0.5000  0.3686  1.0
  Pd  Pd5  2  0.0000  0.0000  0.0000  1.0
  Pd  Pd6  2  0.0000  0.0000  0.5000  1.0
]