data_[H4Pd12S4]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.5601]
_cell_length_b [16.5488]
_cell_length_c [4.6425]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [HPd3S]
_chemical_formula_sum '[H4 Pd12 S4]'
_cell_volume [273.5193]
_cell_formula_units_Z [4]
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  4  0.0000  0.0763  0.1915  1
  H  H1  4  0.0000  0.0841  0.5751  1
  Pd  Pd2  4  0.0000  0.1961  0.7016  1
  Pd  Pd3  4  0.0000  0.4446  0.1942  1
  S  S4  4  0.0000  0.3334  0.5435  1
]