data_[Ge2Pd28Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ge  2.0100  1.2500  0.7700
  Pd  2.2000  1.4000  0.8462
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [9.1572]
_cell_length_b [5.6301]
_cell_length_c [9.6284]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [GePd14Au]
_chemical_formula_sum '[Ge2 Pd28 Au2]'
_cell_volume [496.4019]
_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
[
  Ge  Ge0  2  0.5000  0.0000  0.5428  1
  Pd  Pd1  8  0.2521  0.2470  0.6250  1
  Pd  Pd2  4  0.0000  0.2489  0.4571  1
  Pd  Pd3  4  0.2464  0.0000  0.8748  1
  Pd  Pd4  4  0.2536  0.0000  0.3767  1
  Pd  Pd5  4  0.5000  0.2484  0.7926  1
  Pd  Pd6  2  0.0000  0.0000  0.2069  1
  Pd  Pd7  2  0.0000  0.0000  0.7065  1
  Au  Au8  2  0.5000  0.0000  0.0415  1
]