data_[Nd1Al2Ag1Au5]
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
  Ag  1.9300  1.6000  1.0867
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.8750]
_cell_length_b [4.8750]
_cell_length_c [7.8302]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [NdAl2AgAu5]
_chemical_formula_sum '[Nd1 Al2 Ag1 Au5]'
_cell_volume [186.0863]
_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  0.5000  1
  Al  Al1  2  0.5000  0.5000  0.1611  1
  Ag  Ag2  1  0.0000  0.0000  0.0000  1
  Au  Au3  4  0.0000  0.5000  0.2524  1
  Au  Au4  1  0.5000  0.5000  0.5000  1
]