data_[Nd16Al8Zn24]
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
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [7.5733]
_cell_length_b [9.1183]
_cell_length_c [15.6443]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Nd2AlZn3]
_chemical_formula_sum '[Nd16 Al8 Zn24]'
_cell_volume [1080.3275]
_cell_formula_units_Z [8]
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  0.2391  0.0000  0.0000  1.0
  Nd  Nd1  8  0.2500  0.2500  0.2500  1.0
  Al  Al2  8  0.0000  0.0000  0.3355  1.0
  Zn  Zn3  16  0.0000  0.2471  0.4170  1.0
  Zn  Zn4  8  0.0000  0.0000  0.1674  1.0
]