data_[P2H6Pd12]
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 [P2_1/m]
_cell_length_a [8.8848]
_cell_length_b [3.0871]
_cell_length_c [9.3532]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.7044]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [P(HPd2)3]
_chemical_formula_sum '[P2 H6 Pd12]'
_cell_volume [233.0632]
_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  0.3752  0.2500  0.1150  1.0
  H  H1  2  0.0493  0.2500  0.2142  1.0
  Pd  Pd2  2  0.0552  0.2500  0.7788  1.0
  H  H3  2  0.0668  0.2500  0.5922  1.0
  Pd  Pd4  2  0.1583  0.7500  0.0651  1.0
  Pd  Pd5  2  0.1608  0.7500  0.5582  1.0
  Pd  Pd6  2  0.2712  0.2500  0.3508  1.0
  H  H7  2  0.3179  0.7500  0.4775  1.0
  Pd  Pd8  2  0.3600  0.7500  0.8956  1.0
  Pd  Pd9  2  0.4674  0.2500  0.6840  1.0
]