data_[Nd1Al4Ag6]
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
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [7.4813]
_cell_length_b [7.4813]
_cell_length_c [4.2930]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Nd(Al2Ag3)2]
_chemical_formula_sum '[Nd1 Al4 Ag6]'
_cell_volume [208.0890]
_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  0.0000  1.0
  Al  Al1  3  0.3989  0.1995  0.5000  1.0
  Al  Al2  1  0.3333  0.6667  0.0000  1.0
  Ag  Ag3  3  0.2014  0.7986  0.5000  1.0
  Ag  Ag4  3  0.5353  0.0706  0.0000  1.0
]