data_[Nd8Al8Au4]
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 [10.9246]
_cell_length_b [4.6143]
_cell_length_c [11.1287]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.7942]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd2Al2Au]
_chemical_formula_sum '[Nd8 Al8 Au4]'
_cell_volume [491.6309]
_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  0.0059  0.0000  0.3244  1.0
  Nd  Nd1  4  0.1884  0.0000  0.1104  1.0
  Al  Al2  4  0.0155  0.5000  0.8876  1.0
  Al  Al3  4  0.1429  0.5000  0.5535  1.0
  Au  Au4  4  0.2266  0.5000  0.3474  1.0
]