data_[Nd2Al10Au14]
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 [Imm2]
_cell_length_a [5.5525]
_cell_length_b [9.3540]
_cell_length_c [9.0807]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [NdAl5Au7]
_chemical_formula_sum '[Nd2 Al10 Au14]'
_cell_volume [471.6347]
_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  2  0.0000  0.0000  0.0038  1
  Al  Al1  8  0.2444  0.2572  0.7473  1
  Al  Al2  2  0.0000  0.5000  0.2621  1
  Au  Au3  4  0.0000  0.3053  0.4823  1
  Au  Au4  4  0.0000  0.3376  0.0161  1
  Au  Au5  2  0.0000  0.0000  0.3384  1
  Au  Au6  2  0.0000  0.0000  0.6794  1
  Au  Au7  2  0.0000  0.5000  0.7304  1
]