data_[Ta2Nb4H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Nb  1.6000  1.4500  0.8200
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.8782]
_cell_length_b [5.6533]
_cell_length_c [5.6551]
_cell_angle_alpha [96.5760]
_cell_angle_beta [114.2200]
_cell_angle_gamma [114.8271]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ta(NbH)2]
_chemical_formula_sum '[Ta2 Nb4 H4]'
_cell_volume [121.0890]
_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  0.3955  0.0832  0.2382  1.0
  Nb  Nb1  2  0.0909  0.4136  0.2577  1.0
  Nb  Nb2  2  0.2547  0.2475  0.7540  1.0
  H  H3  2  0.1076  0.7077  0.5068  1.0
  H  H4  2  0.2848  0.7019  0.1150  1.0
]