data_[As3H18Pd24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  As  2.1800  1.1500  0.6600
  H  2.2000  0.2500  0.0000
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [8.0440]
_cell_length_b [8.0440]
_cell_length_c [8.5827]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [As(H3Pd4)2]
_chemical_formula_sum '[As3 H18 Pd24]'
_cell_volume [480.9490]
_cell_formula_units_Z [3]
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
[
  As  As0  3  0.0000  0.0000  0.0000  1.0
  Pd  Pd1  18  0.0259  0.7190  0.1066  1.0
  H  H2  18  0.0429  0.8087  0.6165  1.0
  Pd  Pd3  6  0.0000  0.0000  0.3094  1.0
]