data_[Al4Ni12H4]
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 [Cm]
_cell_length_a [8.8345]
_cell_length_b [5.0809]
_cell_length_c [4.4557]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9476]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [AlNi3H]
_chemical_formula_sum '[Al4 Ni12 H4]'
_cell_volume [189.1656]
_cell_formula_units_Z [4]
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  2  0.2040  0.0000  0.4267  1.0
  Al  Al1  2  0.4689  0.0000  0.9802  1.0
  Ni  Ni2  4  0.2174  0.2447  0.9388  1.0
  Ni  Ni3  4  0.4605  0.2489  0.4626  1.0
  Ni  Ni4  2  0.2140  0.5000  0.4377  1.0
  Ni  Ni5  2  0.4695  0.5000  0.9543  1.0
  H  H6  2  0.0980  0.5000  0.6588  1.0
  H  H7  2  0.3401  0.5000  0.1853  1.0
]