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 [P-1]
_cell_length_a [5.0793]
_cell_length_b [5.1074]
_cell_length_c [5.1144]
_cell_angle_alpha [95.4616]
_cell_angle_beta [116.6921]
_cell_angle_gamma [96.0034]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [AlV3H]
_chemical_formula_sum '[Al2 V6 H2]'
_cell_volume [116.3690]
_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  0.3637  0.7431  0.3600  1.0
  V  V1  2  0.1374  0.2290  0.1167  1.0
  V  V2  2  0.2550  0.5013  0.7759  1.0
  V  V3  1  0.0000  0.0000  0.5000  1.0
  V  V4  1  0.5000  0.0000  0.0000  1.0
  H  H5  2  0.0458  0.3216  0.4063  1.0
]