data_[Al4Ge2Pd12]
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 [P4_2/mnm]
_cell_length_a [8.0338]
_cell_length_b [8.0338]
_cell_length_c [4.1725]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [136]
_chemical_formula_structural [Al2GePd6]
_chemical_formula_sum '[Al4 Ge2 Pd12]'
_cell_volume [269.3035]
_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  0.2052  0.7948  0.5000  1.0
  Ge  Ge1  2  0.0000  0.0000  0.0000  1.0
  Pd  Pd2  8  0.0270  0.6794  0.0000  1.0
  Pd  Pd3  4  0.1256  0.1256  0.5000  1.0
]