data_[P4H4Pd20]
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/c]
_cell_length_a [8.9433]
_cell_length_b [6.4675]
_cell_length_c [7.3827]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.5503]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [PHPd5]
_chemical_formula_sum '[P4 H4 Pd20]'
_cell_volume [397.1735]
_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
[
  P  P0  4  0.0000  0.4235  0.2500  1.0
  Pd  Pd1  8  0.0819  0.3112  0.9711  1.0
  Pd  Pd2  8  0.2278  0.1111  0.6363  1.0
  H  H3  4  0.0000  0.0000  0.0000  1.0
  Pd  Pd4  4  0.0000  0.0703  0.2500  1.0
]