data_[Nd12Al4Ag2]
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 [P4_2/mnm]
_cell_length_a [10.1295]
_cell_length_b [10.1295]
_cell_length_c [5.1507]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [136]
_chemical_formula_structural [Nd6Al2Ag]
_chemical_formula_sum '[Nd12 Al4 Ag2]'
_cell_volume [528.4894]
_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  8  0.0199  0.6831  0.0000  1
  Nd  Nd1  4  0.1249  0.1249  0.5000  1
  Al  Al2  4  0.1998  0.8002  0.5000  1
  Ag  Ag3  2  0.0000  0.0000  0.0000  1
]