data_[Cs2Hg6Au2]
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 [P1]
_cell_length_a [7.1090]
_cell_length_b [7.2476]
_cell_length_c [7.2921]
_cell_angle_alpha [88.4090]
_cell_angle_beta [62.9884]
_cell_angle_gamma [89.6077]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CsHg3Au]
_chemical_formula_sum '[Cs2 Hg6 Au2]'
_cell_volume [334.5884]
_cell_formula_units_Z [2]
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  0.2281  0.4799  0.0160  1.0
  Cs  Cs1  1  0.7736  0.9699  0.5309  1.0
  Hg  Hg2  1  0.0555  0.0010  0.9038  1.0
  Hg  Hg3  1  0.2832  0.7186  0.5105  1.0
  Hg  Hg4  1  0.3018  0.2339  0.4877  1.0
  Hg  Hg5  1  0.3797  0.9893  0.1051  1.0
  Hg  Hg6  1  0.7048  0.6886  0.0768  1.0
  Hg  Hg7  1  0.8797  0.4525  0.6818  1.0
  Au  Au8  1  0.6588  0.4691  0.4441  1.0
  Au  Au9  1  0.6973  0.2663  0.0908  1.0
]