data_[Al4Sb2Pd16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Sb  2.0500  1.4500  0.8300
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.3276]
_cell_length_b [13.0572]
_cell_length_c [6.2144]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Al2SbPd8]
_chemical_formula_sum '[Al4 Sb2 Pd16]'
_cell_volume [351.1588]
_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  4  0.0000  0.3369  0.8159  1
  Sb  Sb1  2  0.0000  0.0000  0.8018  1
  Pd  Pd2  4  0.0000  0.1591  0.0582  1
  Pd  Pd3  4  0.0000  0.2081  0.5129  1
  Pd  Pd4  4  0.0000  0.3790  0.2204  1
  Pd  Pd5  2  0.0000  0.0000  0.3830  1
  Pd  Pd6  2  0.0000  0.5000  0.6011  1
]