data_[Al10V10H4]
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 [9.1770]
_cell_length_b [3.4322]
_cell_length_c [9.4335]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.2097]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Al5V5H2]
_chemical_formula_sum '[Al10 V10 H4]'
_cell_volume [296.6612]
_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  0.1945  0.5000  0.8943  1.0
  Al  Al1  4  0.2031  0.0000  0.3950  1.0
  Al  Al2  2  0.0000  0.5000  0.5000  1.0
  V  V3  4  0.0951  0.0000  0.6876  1.0
  V  V4  4  0.0969  0.5000  0.1899  1.0
  V  V5  2  0.0000  0.0000  0.0000  1.0
  H  H6  4  0.0422  0.0000  0.1887  1.0
]