data_[Al18Ga36Pd3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Ga  1.8100  1.3000  0.7600
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [10.8659]
_cell_length_b [10.8659]
_cell_length_c [10.3781]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Al6Ga12Pd]
_chemical_formula_sum '[Al18 Ga36 Pd3]'
_cell_volume [1061.1678]
_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
[
  Al  Al0  18  0.0351  0.1624  0.6966  1.0
  Ga  Ga1  18  0.0572  0.2564  0.9384  1.0
  Ga  Ga2  18  0.0606  0.2637  0.4418  1.0
  Pd  Pd3  3  0.0000  0.0000  0.0000  1.0
]