data_[Al4B2H16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  B  2.0400  0.8500  0.4100
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.5871]
_cell_length_b [5.3946]
_cell_length_c [3.8160]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.4640]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Al2BH8]
_chemical_formula_sum '[Al4 B2 H16]'
_cell_volume [153.0708]
_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  0.1490  0.5000  0.3098  1
  B  B1  2  0.0000  0.0000  0.0000  1
  H  H2  8  0.1007  0.1761  0.2302  1
  H  H3  4  0.1035  0.5000  0.7692  1
  H  H4  4  0.1311  0.0000  0.7965  1
]