data_[Ga18Cu36Pd3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Cu  1.9000  1.3500  0.8200
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [11.0146]
_cell_length_b [11.0146]
_cell_length_c [7.9677]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ga6Cu12Pd]
_chemical_formula_sum '[Ga18 Cu36 Pd3]'
_cell_volume [837.1358]
_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
[
  Ga  Ga0  18  0.0679  0.5340  0.2362  1
  Cu  Cu1  18  0.0000  0.3875  0.5000  1
  Cu  Cu2  18  0.0800  0.1600  0.2661  1
  Pd  Pd3  3  0.0000  0.0000  0.0000  1
]