data_[Cu3Sb18Pd36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Sb  2.0500  1.4500  0.8300
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [11.8557]
_cell_length_b [11.8557]
_cell_length_c [8.5126]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Cu(SbPd2)6]
_chemical_formula_sum '[Cu3 Sb18 Pd36]'
_cell_volume [1036.2128]
_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  3  0.0000  0.0000  0.0000  1
  Sb  Sb1  18  0.0435  0.2145  0.7395  1
  Pd  Pd2  18  0.0362  0.2265  0.0826  1
  Pd  Pd3  18  0.0554  0.2313  0.4170  1
]