data_[Al4V12H4]
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 [P2_1/c]
_cell_length_a [6.6630]
_cell_length_b [4.9228]
_cell_length_c [8.7275]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.6657]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [AlV3H]
_chemical_formula_sum '[Al4 V12 H4]'
_cell_volume [238.2546]
_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  4  0.4304  0.7060  0.8900  1
  V  V1  4  0.0624  0.0776  0.3404  1
  V  V2  4  0.2023  0.5836  0.5353  1
  V  V3  4  0.3230  0.1812  0.7547  1
  H  H4  4  0.0714  0.2489  0.5256  1
]