data_[Al2Si4Pd12]
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 [P2_1/c]
_cell_length_a [5.6390]
_cell_length_b [6.3869]
_cell_length_c [8.8180]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.6485]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Al(SiPd3)2]
_chemical_formula_sum '[Al2 Si4 Pd12]'
_cell_volume [273.2242]
_cell_formula_units_Z [2]
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  2  0.5000  0.0000  0.5000  1
  Si  Si1  4  0.3118  0.1242  0.7526  1
  Pd  Pd2  4  0.0587  0.0553  0.2342  1
  Pd  Pd3  4  0.2010  0.7021  0.0782  1
  Pd  Pd4  4  0.3724  0.1452  0.0593  1
]