data_[Nd2Al1Au3]
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 [Pmm2]
_cell_length_a [3.6840]
_cell_length_b [4.6553]
_cell_length_c [8.1699]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Nd2AlAu3]
_chemical_formula_sum '[Nd2 Al1 Au3]'
_cell_volume [140.1138]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5128  1.0
  Nd  Nd1  1  0.0000  0.5000  0.9893  1.0
  Al  Al2  1  0.5000  0.5000  0.3251  1.0
  Au  Au3  1  0.5000  0.0000  0.1868  1.0
  Au  Au4  1  0.5000  0.0000  0.8416  1.0
  Au  Au5  1  0.5000  0.5000  0.6443  1.0
]