data_[Cs4Hg12Au4]
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 [P2_1/c]
_cell_length_a [10.1609]
_cell_length_b [6.1625]
_cell_length_c [12.8253]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.0600]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CsHg3Au]
_chemical_formula_sum '[Cs4 Hg12 Au4]'
_cell_volume [687.9369]
_cell_formula_units_Z [4]
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  4  0.3327  0.0359  0.8009  1.0
  Hg  Hg1  4  0.0739  0.5353  0.7472  1.0
  Hg  Hg2  4  0.2078  0.5700  0.5558  1.0
  Hg  Hg3  4  0.3647  0.0023  0.5262  1.0
  Au  Au4  4  0.0552  0.1498  0.4525  1.0
]