data_[H1Pd4Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  H  2.2000  0.2500  0.0000
  Pd  2.2000  1.4000  0.8462
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [2.8586]
_cell_length_b [2.8586]
_cell_length_c [14.3270]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [H(Pd2Au)2]
_chemical_formula_sum '[H1 Pd4 Au2]'
_cell_volume [101.3901]
_cell_formula_units_Z [1]
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
[
  Pd  Pd0  1  0.0000  0.0000  0.5842  1
  H  H1  1  0.3333  0.6667  0.6419  1
  Pd  Pd2  1  0.3333  0.6667  0.7634  1
  Pd  Pd3  1  0.6667  0.3333  0.2525  1
  Pd  Pd4  1  0.6667  0.3333  0.9224  1
  Au  Au5  1  0.3333  0.6667  0.0871  1
  Au  Au6  1  0.3333  0.6667  0.4165  1
]