data_[Nd4Al6Ag2]
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 [P6_3/mmc]
_cell_length_a [5.7723]
_cell_length_b [5.7723]
_cell_length_c [9.0150]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [194]
_chemical_formula_structural [Nd2Al3Ag]
_chemical_formula_sum '[Nd4 Al6 Ag2]'
_cell_volume [260.1309]
_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  4  0.3333  0.6667  0.9241  1
  Al  Al1  6  0.1708  0.3416  0.2500  1
  Ag  Ag2  2  0.0000  0.0000  0.0000  1
]