data_[Nd8Ge20Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ge  2.0100  1.2500  0.7700
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [10.3704]
_cell_length_b [12.7405]
_cell_length_c [6.4698]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Nd2Ge5Au3]
_chemical_formula_sum '[Nd8 Ge20 Au12]'
_cell_volume [854.8146]
_cell_formula_units_Z [4]
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
[
  Nd  Nd0  8  0.2423  0.3814  0.0000  1
  Ge  Ge1  8  0.0000  0.2401  0.2500  1
  Ge  Ge2  8  0.1359  0.1200  0.0000  1
  Ge  Ge3  4  0.0000  0.5000  0.2500  1
  Au  Au4  8  0.1250  0.3663  0.5000  1
  Au  Au5  4  0.0000  0.0000  0.2500  1
]