data_[Nd16Al2Ni4]
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 [8.9169]
_cell_length_b [13.6899]
_cell_length_c [5.3657]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.1744]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd8AlNi2]
_chemical_formula_sum '[Nd16 Al2 Ni4]'
_cell_volume [635.0534]
_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  8  0.1962  0.1279  0.0690  1
  Nd  Nd1  4  0.0000  0.2508  0.5000  1
  Nd  Nd2  4  0.1159  0.5000  0.3113  1
  Al  Al3  2  0.0000  0.0000  0.5000  1
  Ni  Ni4  4  0.0000  0.3079  0.0000  1
]