data_[Nd6Al10Ni4]
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 [P4/mbm]
_cell_length_a [9.9129]
_cell_length_b [9.9129]
_cell_length_c [4.1137]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Nd3Al5Ni2]
_chemical_formula_sum '[Nd6 Al10 Ni4]'
_cell_volume [404.2387]
_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  0.1767  0.3233  0.0000  1
  Nd  Nd1  2  0.0000  0.0000  0.0000  1
  Al  Al2  8  0.0648  0.7635  0.5000  1
  Al  Al3  2  0.0000  0.5000  0.5000  1
  Ni  Ni4  4  0.1192  0.6192  0.0000  1
]