data_[Nd4Al8Zn12]
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 [C2/m]
_cell_length_a [15.3181]
_cell_length_b [4.3514]
_cell_length_c [7.6797]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.4957]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NdAl2Zn3]
_chemical_formula_sum '[Nd4 Al8 Zn12]'
_cell_volume [462.0456]
_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  0.1481  0.0000  0.0926  1.0
  Al  Al1  4  0.0193  0.5000  0.1763  1.0
  Al  Al2  4  0.1816  0.0000  0.6701  1.0
  Zn  Zn3  4  0.0111  0.0000  0.3467  1.0
  Zn  Zn4  4  0.1275  0.5000  0.7599  1.0
  Zn  Zn5  4  0.1864  0.5000  0.4600  1.0
]