data_[Ti8V8H20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  V  1.6300  1.3500  0.7775
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [13.1586]
_cell_length_b [4.6908]
_cell_length_c [4.6649]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [Ti2V2H5]
_chemical_formula_sum '[Ti8 V8 H20]'
_cell_volume [287.9391]
_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
[
  Ti  Ti0  4  0.0000  0.0000  0.0229  1.0
  Ti  Ti1  4  0.2500  0.5017  0.5326  1.0
  V  V2  8  0.1251  0.0011  0.5284  1.0
  H  H3  8  0.0697  0.2434  0.2725  1.0
  H  H4  8  0.1265  0.6552  0.3767  1.0
  H  H5  4  0.2500  0.1087  0.4253  1.0
]