data_[Li3Nd12Al6Zn3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [R-3m]
_cell_length_a [5.2875]
_cell_length_b [5.2875]
_cell_length_c [25.8828]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [LiNd4Al2Zn]
_chemical_formula_sum '[Li3 Nd12 Al6 Zn3]'
_cell_volume [626.6871]
_cell_formula_units_Z [3]
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
[
  Li  Li0  3  0.0000  0.0000  0.0000  1
  Nd  Nd1  6  0.0000  0.0000  0.1281  1
  Nd  Nd2  6  0.0000  0.0000  0.3783  1
  Al  Al3  6  0.0000  0.0000  0.2531  1
  Zn  Zn4  3  -0.0000  -0.0000  0.5000  1
]