data_[Al12V8H12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  V  1.6300  1.3500  0.7775
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.0974]
_cell_length_b [9.8068]
_cell_length_c [11.5411]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Al3V2H3]
_chemical_formula_sum '[Al12 V8 H12]'
_cell_volume [350.5737]
_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  8  0.0000  0.0634  0.6130  1
  Al  Al1  4  0.0000  0.3888  0.7500  1
  V  V2  8  0.0000  0.2140  0.0830  1
  H  H3  8  0.0000  0.3553  0.5154  1
  H  H4  4  0.0000  0.2391  0.2500  1
]