data_[Al2P4Pd16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  P  2.1900  1.0000  0.5500
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.5973]
_cell_length_b [7.1956]
_cell_length_c [13.0015]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Al(PPd4)2]
_chemical_formula_sum '[Al2 P4 Pd16]'
_cell_volume [336.5474]
_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  0.0000  0.5000  0.5000  1
  P  P1  4  0.0000  0.5000  0.1461  1
  Pd  Pd2  8  0.0000  0.2035  0.3302  1
  Pd  Pd3  4  0.0000  0.0000  0.1400  1
  Pd  Pd4  4  0.0000  0.2962  0.0000  1
]