data_[Al8V8H4]
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 [Cmc2_1]
_cell_length_a [2.7077]
_cell_length_b [8.9678]
_cell_length_c [10.3125]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Al2V2H]
_chemical_formula_sum '[Al8 V8 H4]'
_cell_volume [250.4050]
_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  0.0000  0.0273  0.6912  1
  Al  Al1  4  0.0000  0.2924  0.8042  1
  V  V2  4  0.0000  0.0007  0.9465  1
  V  V3  4  0.0000  0.2496  0.0649  1
  H  H4  4  0.0000  0.3581  0.4785  1
]