data_[Al9Si3Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Si  1.9000  1.1000  0.5400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [6.9495]
_cell_length_b [6.9495]
_cell_length_c [8.3793]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Al3SiPd4]
_chemical_formula_sum '[Al9 Si3 Pd12]'
_cell_volume [350.4650]
_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  9  0.1074  0.7076  0.0499  1.0
  Si  Si1  3  0.0000  0.0000  0.8437  1.0
  Pd  Pd2  9  0.0344  0.2648  0.6210  1.0
  Pd  Pd3  3  0.0000  0.0000  0.1434  1.0
]