data_[Nd12Al4H2]
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
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.5731]
_cell_length_b [9.3468]
_cell_length_c [9.5888]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.0780]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Nd6Al2H]
_chemical_formula_sum '[Nd12 Al4 H2]'
_cell_volume [499.1630]
_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  0.1268  0.1373  0.4833  1.0
  Nd  Nd1  4  0.3172  0.0384  0.1967  1.0
  Nd  Nd2  4  0.3306  0.7317  0.4430  1.0
  Al  Al3  4  0.1770  0.0872  0.8208  1.0
  H  H4  2  0.5000  0.0000  0.5000  1.0
]