data_[Nd8Al2Ni2]
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 [P2_1/m]
_cell_length_a [5.6475]
_cell_length_b [7.1363]
_cell_length_c [8.4714]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.6043]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Nd4AlNi]
_chemical_formula_sum '[Nd8 Al2 Ni2]'
_cell_volume [334.4407]
_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  0.3411  0.5109  0.2579  1
  Nd  Nd1  2  0.1250  0.2500  0.5497  1
  Nd  Nd2  2  0.2149  0.7500  0.8793  1
  Al  Al3  2  0.2292  0.2500  0.9241  1
  Ni  Ni4  2  0.3612  0.7500  0.5489  1
]