data_[Cs2Hg5Au5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Hg  2.0000  1.5000  1.2450
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [4.1707]
_cell_length_b [6.8297]
_cell_length_c [12.0147]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [Cs2(HgAu)5]
_chemical_formula_sum '[Cs2 Hg5 Au5]'
_cell_volume [342.2319]
_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  0.0000  0.0000  0.5000  1.0
  Cs  Cs1  1  0.0000  0.5000  0.0000  1.0
  Hg  Hg2  2  0.0000  0.0000  0.1944  1.0
  Hg  Hg3  2  0.0000  0.5000  0.3400  1.0
  Hg  Hg4  1  0.5000  0.0000  0.0000  1.0
  Au  Au5  4  0.5000  0.2707  0.2436  1.0
  Au  Au6  1  0.5000  0.5000  0.5000  1.0
]