data_[As4H2Pd16]
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 [C2]
_cell_length_a [14.4866]
_cell_length_b [3.8300]
_cell_length_c [5.7732]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.9899]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [As2HPd8]
_chemical_formula_sum '[As4 H2 Pd16]'
_cell_volume [320.2705]
_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
[
  As  As0  4  0.1684  0.0158  0.2438  1
  Pd  Pd1  4  0.0061  0.0155  0.7452  1
  Pd  Pd2  4  0.0991  0.5177  0.0062  1
  Pd  Pd3  4  0.1200  0.5179  0.5120  1
  Pd  Pd4  4  0.2166  0.0161  0.7951  1
  H  H5  2  0.0000  0.3341  0.5000  1
]