data_[Nd4Ge4Au2]
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 [Amm2]
_cell_length_a [3.8424]
_cell_length_b [4.3615]
_cell_length_c [14.2420]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Nd2Ge2Au]
_chemical_formula_sum '[Nd4 Ge4 Au2]'
_cell_volume [238.6781]
_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
[
  Nd  Nd0  2  0.0000  0.0000  0.6896  1
  Nd  Nd1  2  0.0000  0.0000  0.9288  1
  Ge  Ge2  2  0.5000  0.0000  0.3088  1
  Ge  Ge3  2  0.5000  0.0000  0.5046  1
  Au  Au4  2  0.5000  0.0000  0.1103  1
]