data_[U1Ta2H6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  U  1.3800  1.7500  0.9913
  Ta  1.5000  1.4500  0.8200
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P6/m]
_cell_length_a [5.6224]
_cell_length_b [5.6224]
_cell_length_c [2.9626]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [175]
_chemical_formula_structural [U(TaH3)2]
_chemical_formula_sum '[U1 Ta2 H6]'
_cell_volume [81.1035]
_cell_formula_units_Z [1]
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
[
  U  U0  1  0.0000  0.0000  0.5000  1
  Ta  Ta1  2  0.3333  0.6667  0.0000  1
  H  H2  6  0.1771  0.4331  0.5000  1
]