data_[Cs1Pd1Au1Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Pd  2.2000  1.4000  0.8462
  Au  2.5400  1.3500  1.0700
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.4562]
_cell_length_b [6.7097]
_cell_length_c [10.0398]
_cell_angle_alpha [78.0057]
_cell_angle_beta [77.3634]
_cell_angle_gamma [67.9735]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CsPdAuCl6]
_chemical_formula_sum '[Cs1 Pd1 Au1 Cl6]'
_cell_volume [329.2425]
_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
[
  Cs  Cs0  1  0.0028  0.9698  0.0236  1.0
  Pd  Pd1  1  0.5446  0.6442  0.3328  1.0
  Au  Au2  1  0.4714  0.3631  0.6600  1.0
  Cl  Cl3  1  0.2064  0.4546  0.8668  1.0
  Cl  Cl4  1  0.3576  0.7280  0.5584  1.0
  Cl  Cl5  1  0.3830  0.0038  0.2471  1.0
  Cl  Cl6  1  0.6104  0.0028  0.7540  1.0
  Cl  Cl7  1  0.7001  0.5500  0.1154  1.0
  Cl  Cl8  1  0.7239  0.2835  0.4419  1.0
]