data_[Ta2V4H16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  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 [10.3080]
_cell_length_b [3.1222]
_cell_length_c [4.3936]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.1088]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ta(VH4)2]
_chemical_formula_sum '[Ta2 V4 H16]'
_cell_volume [129.0669]
_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
[
  Ta  Ta0  2  0.0000  0.5000  0.0000  1
  V  V1  4  0.1659  0.0000  0.6954  1
  H  H2  4  0.0124  0.0000  0.3086  1
  H  H3  4  0.1381  0.0000  0.0751  1
  H  H4  4  0.1662  0.5000  0.8920  1
  H  H5  4  0.1720  0.5000  0.4367  1
]