data_[Al4V14H4]
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 [6.5491]
_cell_length_b [7.8888]
_cell_length_c [5.2405]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.8110]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Al2V7H2]
_chemical_formula_sum '[Al4 V14 H4]'
_cell_volume [265.9373]
_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  0.0000  0.1648  0.0000  1
  V  V1  8  0.1522  0.3218  0.6575  1
  V  V2  4  0.1548  0.5000  0.1546  1
  V  V3  2  0.0000  0.0000  0.5000  1
  H  H4  4  0.2344  0.5000  0.5020  1
]