data_[Nd4Ga8Au16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ga  1.8100  1.3000  0.7600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [17.8098]
_cell_length_b [4.5799]
_cell_length_c [6.8430]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Nd(GaAu2)2]
_chemical_formula_sum '[Nd4 Ga8 Au16]'
_cell_volume [558.1601]
_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  4  0.1360  0.7500  0.5085  1
  Ga  Ga1  4  0.0369  0.2500  0.7283  1
  Ga  Ga2  4  0.2225  0.7500  0.0307  1
  Au  Au3  4  0.0358  0.2500  0.2997  1
  Au  Au4  4  0.0766  0.7500  0.0150  1
  Au  Au5  4  0.1782  0.2500  0.8161  1
  Au  Au6  4  0.1945  0.2500  0.2282  1
]