data_[Nd16Al4Ag4]
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 [Cmc2_1]
_cell_length_a [5.4162]
_cell_length_b [22.2830]
_cell_length_c [6.5358]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Nd4AlAg]
_chemical_formula_sum '[Nd16 Al4 Ag4]'
_cell_volume [788.8121]
_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  4  0.0000  0.1208  0.2067  1
  Nd  Nd1  4  0.0000  0.2838  0.9506  1
  Nd  Nd2  4  0.0000  0.3050  0.4302  1
  Nd  Nd3  4  0.0000  0.4373  0.1427  1
  Al  Al4  4  0.0000  0.1596  0.6851  1
  Ag  Ag5  4  0.0000  0.4279  0.6512  1
]