data_[Nd12Al6Zn6Ga36]
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
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.4103]
_cell_length_b [6.4103]
_cell_length_c [36.1196]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Nd2AlZnGa6]
_chemical_formula_sum '[Nd12 Al6 Zn6 Ga36]'
_cell_volume [1285.3841]
_cell_formula_units_Z [6]
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  6  0.0000  0.0000  0.1130  1
  Nd  Nd1  6  0.0000  0.0000  0.2966  1
  Al  Al2  3  -0.0000  -0.0000  0.5000  1
  Al  Al3  3  0.0000  0.0000  0.0000  1
  Zn  Zn4  6  0.0000  0.0000  0.4304  1
  Ga  Ga5  18  0.0440  0.5220  0.2913  1
  Ga  Ga6  18  0.0735  0.5368  0.8726  1
]