data_[Sb1H1Pd2Ru1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sb  2.0500  1.4500  0.8300
  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 [P4/mmm]
_cell_length_a [4.0338]
_cell_length_b [4.0338]
_cell_length_c [4.1212]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [SbHPd2Ru]
_chemical_formula_sum '[Sb1 H1 Pd2 Ru1]'
_cell_volume [67.0602]
_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
[
  Sb  Sb0  1  0.5000  0.5000  0.5000  1
  Pd  Pd1  2  0.0000  0.5000  0.0000  1
  H  H2  1  0.0000  0.0000  0.0000  1
  Ru  Ru3  1  0.0000  0.0000  0.5000  1
]