data_[Cr6Ni18Pd36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Ni  1.9100  1.3500  0.7400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [9.5039]
_cell_length_b [9.5039]
_cell_length_c [11.0712]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Cr(NiPd2)3]
_chemical_formula_sum '[Cr6 Ni18 Pd36]'
_cell_volume [866.0312]
_cell_formula_units_Z [6]
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
[
  Cr  Cr0  3  0.0000  0.0000  0.0000  1
  Cr  Cr1  3  0.0000  0.0000  0.5000  1
  Ni  Ni2  18  0.0538  0.5844  0.7006  1
  Pd  Pd3  18  0.0475  0.8621  0.8028  1
  Pd  Pd4  18  0.0604  0.4560  0.0922  1
]