data_[Al4V12H4]
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 [Cm]
_cell_length_a [9.4710]
_cell_length_b [3.1542]
_cell_length_c [8.7097]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.5468]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [AlV3H]
_chemical_formula_sum '[Al4 V12 H4]'
_cell_volume [232.7559]
_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  2  0.2106  0.5000  0.1911  1.0
  Al  Al1  2  0.2179  0.0000  0.4481  1.0
  V  V2  2  0.2083  0.5000  0.6831  1.0
  V  V3  2  0.2198  0.0000  0.9474  1.0
  V  V4  2  0.4418  0.0000  0.7982  1.0
  V  V5  2  0.4534  0.5000  0.0765  1.0
  V  V6  2  0.4636  0.0000  0.3180  1.0
  V  V7  2  0.4703  0.5000  0.5530  1.0
  H  H8  2  0.0142  0.0000  0.9062  1.0
  H  H9  2  0.1453  0.5000  0.8460  1.0
]