# generated using pymatgen
data_HPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.04547552
_cell_length_b   4.04547552
_cell_length_c   51.68440331
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HPd
_chemical_formula_sum   'H20 Pd20'
_cell_volume   845.860340225
_cell_formula_units_Z   20
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
  H  H1  1  0.522243  0.522243  0.250833  1
  H  H2  1  0.022243  0.022243  0.250833  1
  H  H3  1  0.522243  0.022243  0.285705  1
  H  H4  1  0.022243  0.522243  0.285705  1
  H  H5  1  0.522243  0.522243  0.333324  1
  H  H6  1  0.022243  0.022243  0.333324  1
  H  H7  1  0.522243  0.022243  0.380551  1
  H  H8  1  1.022243  0.522243  0.380551  1
  H  H9  1  0.522243  0.522243  0.426551  1
  H  H10  1  1.022243  0.022243  0.426551  1
  H  H11  1  0.522243  0.022243  0.472751  1
  H  H12  1  1.022243  0.522243  0.472751  1
  H  H13  1  0.522243  0.522243  0.518750  1
  H  H14  1  1.022243  0.022243  0.518750  1
  H  H15  1  0.522243  0.022243  0.565978  1
  H  H16  1  1.022243  0.522243  0.565978  1
  H  H17  1  0.522243  0.522243  0.613597  1
  H  H18  1  0.022243  0.022243  0.613597  1
  H  H19  1  0.522243  0.022243  0.648469  1
  H  H20  1  0.022243  0.522243  0.648469  1
  Pd  Pd21  1  0.522243  0.022243  0.246898  1
  Pd  Pd22  1  1.022243  0.522243  0.246898  1
  Pd  Pd23  1  0.522243  0.522243  0.289018  1
  Pd  Pd24  1  0.022243  0.022243  0.289018  1
  Pd  Pd25  1  0.522243  0.022243  0.335410  1
  Pd  Pd26  1  0.022243  0.522243  0.335410  1
  Pd  Pd27  1  0.522243  0.522243  0.380777  1
  Pd  Pd28  1  1.022243  0.022243  0.380777  1
  Pd  Pd29  1  0.522243  0.022243  0.426627  1
  Pd  Pd30  1  0.022243  0.522243  0.426627  1
  Pd  Pd31  1  0.522243  0.522243  0.472674  1
  Pd  Pd32  1  0.022243  0.022243  0.472674  1
  Pd  Pd33  1  0.522243  0.022243  0.518524  1
  Pd  Pd34  1  0.022243  0.522243  0.518524  1
  Pd  Pd35  1  0.522243  0.522243  0.563892  1
  Pd  Pd36  1  0.022243  0.022243  0.563892  1
  Pd  Pd37  1  0.522243  0.022243  0.610284  1
  Pd  Pd38  1  0.022243  0.522243  0.610284  1
  Pd  Pd39  1  0.522243  0.522243  0.652404  1
  Pd  Pd40  1  1.022243  0.022243  0.652404  1
