data_[Al4V10H4]
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 [C2/m]
_cell_length_a [9.3896]
_cell_length_b [3.1616]
_cell_length_c [7.0416]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.4408]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Al2V5H2]
_chemical_formula_sum '[Al4 V10 H4]'
_cell_volume [207.7156]
_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  0.0701  0.5000  0.7066  1.0
  V  V1  4  0.1594  0.0000  0.4278  1.0
  V  V2  4  0.1997  0.5000  0.1564  1.0
  V  V3  2  0.0000  0.0000  0.0000  1.0
  H  H4  4  0.1872  0.0000  0.0349  1.0
]