data_[Nd8Al8Ni4]
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 [C2/m]
_cell_length_a [10.5955]
_cell_length_b [4.5854]
_cell_length_c [10.2942]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.9325]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd2Al2Ni]
_chemical_formula_sum '[Nd8 Al8 Ni4]'
_cell_volume [445.8946]
_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  0.0924  0.0000  0.9001  1.0
  Nd  Nd1  4  0.1643  0.5000  0.6771  1.0
  Al  Al2  4  0.0990  0.0000  0.4429  1.0
  Al  Al3  4  0.1204  0.5000  0.1338  1.0
  Ni  Ni4  4  0.1454  0.5000  0.3808  1.0
]