data_[Cu24Pd18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [11.2130]
_cell_length_b [11.2130]
_cell_length_c [5.2132]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Cu4Pd3]
_chemical_formula_sum '[Cu24 Pd18]'
_cell_volume [567.6410]
_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
[
  Cu  Cu0  18  0.0449  0.8146  0.1576  1.0
  Cu  Cu1  3  0.0000  0.0000  0.0000  1.0
  Cu  Cu2  3  0.0000  0.0000  0.5000  1.0
  Pd  Pd3  18  0.0464  0.8072  0.6590  1.0
]