data_[Nd6Zn6Ag16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Zn  1.6500  1.3500  0.8800
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.6574]
_cell_length_b [9.7821]
_cell_length_c [13.1177]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Nd3Zn3Ag8]
_chemical_formula_sum '[Nd6 Zn6 Ag16]'
_cell_volume [597.6333]
_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  0.0000  0.0000  0.2004  1.0
  Nd  Nd1  2  0.0000  0.0000  0.5000  1.0
  Zn  Zn2  4  0.0000  0.1867  0.0000  1.0
  Zn  Zn3  2  0.0000  0.5000  0.5000  1.0
  Ag  Ag4  8  0.0000  0.2891  0.3773  1.0
  Ag  Ag5  8  0.0000  0.3588  0.1617  1.0
]