data_[Nd40Mg96Zn24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Mg  1.3100  1.5000  0.8600
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [Ia-3d]
_cell_length_a [17.4497]
_cell_length_b [17.4497]
_cell_length_c [17.4497]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [230]
_chemical_formula_structural [Nd5(Mg4Zn)3]
_chemical_formula_sum '[Nd40 Mg96 Zn24]'
_cell_volume [5313.3197]
_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  24  0.0000  0.2500  0.3750  1
  Nd  Nd1  16  0.0000  0.0000  0.0000  1
  Mg  Mg2  96  0.0108  0.1028  0.6458  1
  Zn  Zn3  24  0.0000  0.2500  0.1250  1
]