data_[Hf36Co3Pd18]
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 [R-3]
_cell_length_a [11.6502]
_cell_length_b [11.6502]
_cell_length_c [10.8854]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Hf12CoPd6]
_chemical_formula_sum '[Hf36 Co3 Pd18]'
_cell_volume [1279.4953]
_cell_formula_units_Z [3]
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  18  0.0318  0.2156  0.3973  1
  Hf  Hf1  18  0.0449  0.2001  0.8877  1
  Co  Co2  3  0.0000  0.0000  0.0000  1
  Pd  Pd3  18  0.0483  0.2685  0.6469  1
]