data_[H1Pd6Au2Se1]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.6766]
_cell_length_b [5.7416]
_cell_length_c [5.8959]
_cell_angle_alpha [70.6342]
_cell_angle_beta [70.6244]
_cell_angle_gamma [62.1579]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [HPd6Au2Se]
_chemical_formula_sum '[H1 Pd6 Au2 Se1]'
_cell_volume [156.6588]
_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  2  0.1460  0.8521  0.2947  1.0
  Pd  Pd1  2  0.2701  0.6833  0.8650  1.0
  Pd  Pd2  2  0.2988  0.1818  0.8096  1.0
  H  H3  1  0.0000  0.0000  0.0000  1.0
  Au  Au4  2  0.2007  0.3095  0.2942  1.0
  Se  Se5  1  0.5000  0.5000  0.5000  1.0
]