data_[P2H4Pd16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  P  2.1900  1.0000  0.5500
  H  2.2000  0.2500  0.0000
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.0568]
_cell_length_b [4.5373]
_cell_length_c [5.1101]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0512]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [P(HPd4)2]
_chemical_formula_sum '[P2 H4 Pd16]'
_cell_volume [286.1508]
_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
[
  P  P0  2  0.0000  0.5000  0.0000  1.0
  Pd  Pd1  4  0.0521  0.0000  0.7965  1.0
  Pd  Pd2  4  0.0955  0.5000  0.4666  1.0
  H  H3  4  0.1731  0.0000  0.6919  1.0
  Pd  Pd4  4  0.1833  0.0000  0.3563  1.0
  Pd  Pd5  4  0.1911  0.5000  0.0330  1.0
]