data_[Nd12Al12Zn8]
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 [Cmcm]
_cell_length_a [4.5954]
_cell_length_b [10.7923]
_cell_length_c [15.1448]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Nd3Al3Zn2]
_chemical_formula_sum '[Nd12 Al12 Zn8]'
_cell_volume [751.1129]
_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  0.0969  0.6097  1
  Nd  Nd1  4  0.0000  0.3761  0.7500  1
  Al  Al2  8  0.0000  0.3857  0.5368  1
  Al  Al3  4  0.0000  0.3264  0.2500  1
  Zn  Zn4  8  0.0000  0.2009  0.0979  1
]