data_[Cu18Bi3Pd36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Bi  2.0200  1.6000  1.0350
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [12.0088]
_cell_length_b [12.0088]
_cell_length_c [6.8194]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Cu6BiPd12]
_chemical_formula_sum '[Cu18 Bi3 Pd36]'
_cell_volume [851.6790]
_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
[
  Cu  Cu0  18  0.0333  0.7538  0.3283  1
  Bi  Bi1  3  0.0000  0.0000  0.0000  1
  Pd  Pd2  18  0.0114  0.8687  0.6596  1
  Pd  Pd3  18  0.0632  0.5038  0.6720  1
]