data_[Nd24Al4Ag8]
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 [Immm]
_cell_length_a [10.2429]
_cell_length_b [10.2533]
_cell_length_c [10.2881]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Nd6AlAg2]
_chemical_formula_sum '[Nd24 Al4 Ag8]'
_cell_volume [1080.4885]
_cell_formula_units_Z [4]
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  8  0.0000  0.2707  0.3263  1.0
  Nd  Nd1  8  0.1786  0.2654  0.0000  1.0
  Nd  Nd2  8  0.1980  0.0000  0.2489  1.0
  Al  Al3  2  0.0000  0.0000  0.0000  1.0
  Al  Al4  2  0.0000  0.0000  0.5000  1.0
  Ag  Ag5  4  0.0000  0.5000  0.1343  1.0
  Ag  Ag6  4  0.1398  0.5000  0.5000  1.0
]