data_[Nd6Al18Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Al  1.6100  1.2500  0.6750
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.9148]
_cell_length_b [4.2781]
_cell_length_c [10.2275]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.7477]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NdAl3Au2]
_chemical_formula_sum '[Nd6 Al18 Au12]'
_cell_volume [715.7068]
_cell_formula_units_Z [6]
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  0.1582  0.0000  0.7055  1
  Nd  Nd1  2  0.0000  0.0000  0.0000  1
  Al  Al2  4  0.0430  0.0000  0.3604  1
  Al  Al3  4  0.1279  0.5000  0.1969  1
  Al  Al4  4  0.1636  0.5000  0.9565  1
  Al  Al5  4  0.2125  0.0000  0.3758  1
  Al  Al6  2  0.0000  0.5000  0.5000  1
  Au  Au7  4  0.0242  0.5000  0.7775  1
  Au  Au8  4  0.1478  0.5000  0.4588  1
  Au  Au9  4  0.1987  0.0000  0.1146  1
]