data_[H2Pd2Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  H  2.2000  0.2500  0.0000
  Pd  2.2000  1.4000  0.8462
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [2.8053]
_cell_length_b [2.8216]
_cell_length_c [8.2045]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [HPdRu]
_chemical_formula_sum '[H2 Pd2 Ru2]'
_cell_volume [64.9434]
_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
[
  Pd  Pd0  1  0.0000  0.0000  0.4352  1
  H  H1  1  0.0000  0.0000  0.7227  1
  Ru  Ru2  1  0.0000  0.0000  0.9515  1
  H  H3  1  0.0000  0.5000  0.3022  1
  Ru  Ru4  1  0.5000  0.5000  0.1527  1
  Pd  Pd5  1  0.5000  0.5000  0.6920  1
]