data_[Fe2H2Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  H  2.2000  0.2500  0.0000
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [7.4551]
_cell_length_b [4.5517]
_cell_length_c [2.7278]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.7007]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [FeHPd2]
_chemical_formula_sum '[Fe2 H2 Pd4]'
_cell_volume [92.2534]
_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
[
  Fe  Fe0  2  0.0000  0.2974  0.5000  1
  Pd  Pd1  4  0.1716  0.8159  0.7819  1
  H  H2  2  0.0000  0.5709  0.0000  1
]