data_[Nb2H2Pd2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  H  2.2000  0.2500  0.0000
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [2.8657]
_cell_length_b [5.1057]
_cell_length_c [5.6237]
_cell_angle_alpha [116.0542]
_cell_angle_beta [103.9626]
_cell_angle_gamma [90.6966]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [NbHPd]
_chemical_formula_sum '[Nb2 H2 Pd2]'
_cell_volume [71.0749]
_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
[
  Nb  Nb0  2  0.4057  0.7087  0.7618  1
  Pd  Pd1  2  0.1094  0.7934  0.2349  1
  H  H2  2  0.2205  0.2754  0.4962  1
]