data_[Al2Ge4Pd16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Ge  2.0100  1.2500  0.7700
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.3307]
_cell_length_b [4.1518]
_cell_length_c [6.0983]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.9057]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Al(GePd4)2]
_chemical_formula_sum '[Al2 Ge4 Pd16]'
_cell_volume [338.9553]
_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  0.0000  1.0
  Ge  Ge1  4  0.1808  0.0000  0.6802  1.0
  Pd  Pd2  4  0.0279  0.0000  0.7833  1.0
  Pd  Pd3  4  0.0947  0.5000  0.4579  1.0
  Pd  Pd4  4  0.1718  0.5000  0.9540  1.0
  Pd  Pd5  4  0.1860  0.0000  0.2784  1.0
]