data_[Nd6Al18Ni4]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.3037]
_cell_length_b [10.0698]
_cell_length_c [12.4056]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Nd3Al9Ni2]
_chemical_formula_sum '[Nd6 Al18 Ni4]'
_cell_volume [537.6340]
_cell_formula_units_Z [2]
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  0.0000  0.0000  0.3139  1.0
  Nd  Nd1  2  0.0000  0.0000  0.0000  1.0
  Al  Al2  8  0.0000  0.2803  0.1188  1.0
  Al  Al3  8  0.0000  0.3632  0.3413  1.0
  Al  Al4  2  0.0000  0.5000  0.0000  1.0
  Ni  Ni5  4  0.0000  0.2154  0.5000  1.0
]