data_[Al2V6H2]
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]
_cell_length_a [5.3232]
_cell_length_b [4.2942]
_cell_length_c [5.3728]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9011]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [AlV3H]
_chemical_formula_sum '[Al2 V6 H2]'
_cell_volume [116.1960]
_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  2  0.3586  0.3448  0.8635  1.0
  V  V1  2  0.1021  0.8478  0.6123  1.0
  V  V2  2  0.1223  0.8549  0.1007  1.0
  V  V3  2  0.3680  0.3432  0.3688  1.0
  H  H4  2  0.3120  0.7405  0.4253  1.0
]