data_[Al4Ni16H2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Ni  1.9100  1.3500  0.7400
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.8491]
_cell_length_b [4.9559]
_cell_length_c [12.0929]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Al2Ni8H]
_chemical_formula_sum '[Al4 Ni16 H2]'
_cell_volume [230.6847]
_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
[
  Al  Al0  4  0.0000  0.5000  0.3043  1
  Ni  Ni1  8  0.0000  0.2467  0.8939  1
  Ni  Ni2  4  0.0000  0.0000  0.3027  1
  Ni  Ni3  2  0.0000  0.0000  0.5000  1
  Ni  Ni4  2  0.0000  0.5000  0.5000  1
  H  H5  2  0.0000  0.5000  0.0000  1
]