data_[Na6Al3H14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Al  1.6100  1.2500  0.6750
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P3]
_cell_length_a [8.5633]
_cell_length_b [8.5633]
_cell_length_c [4.5101]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [143]
_chemical_formula_structural [Na6Al3H14]
_chemical_formula_sum '[Na6 Al3 H14]'
_cell_volume [286.4221]
_cell_formula_units_Z [1]
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
[
  Na  Na0  3  0.0079  0.4232  0.7892  1
  Na  Na1  3  0.3167  0.2434  0.2498  1
  Al  Al2  1  0.0000  0.0000  0.8103  1
  Al  Al3  1  0.3333  0.6667  0.3383  1
  Al  Al4  1  0.6667  0.3333  0.4903  1
  H  H5  3  0.0797  0.2048  0.9432  1
  H  H6  3  0.2142  0.7551  0.4621  1
  H  H7  3  0.4675  0.2798  0.7084  1
  H  H8  3  0.5215  0.1341  0.2752  1
  H  H9  1  0.0000  0.0000  0.4474  1
  H  H10  1  0.3333  0.6667  0.9731  1
]