data_[Nd6Al8Au4]
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 [10.9715]
_cell_length_b [4.5779]
_cell_length_c [8.7972]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7356]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd3(Al2Au)2]
_chemical_formula_sum '[Nd6 Al8 Au4]'
_cell_volume [420.8524]
_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  4  0.1323  0.5000  0.6878  1.0
  Nd  Nd1  2  0.0000  0.0000  0.0000  1.0
  Al  Al2  4  0.0976  0.0000  0.4199  1.0
  Al  Al3  4  0.2255  0.5000  0.0654  1.0
  Au  Au4  4  0.1582  0.5000  0.3205  1.0
]