data_[Cs5Hg3Au3]
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 [P-62m]
_cell_length_a [11.2536]
_cell_length_b [11.2536]
_cell_length_c [5.3769]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [Cs5(HgAu)3]
_chemical_formula_sum '[Cs5 Hg3 Au3]'
_cell_volume [589.7165]
_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  3  0.0000  0.2550  0.5000  1.0
  Cs  Cs1  2  0.3333  0.6667  0.5000  1.0
  Hg  Hg2  3  0.0000  0.6261  0.0000  1.0
  Au  Au3  3  0.0000  0.6269  0.5000  1.0
]