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 [P2_1/m]
_cell_length_a [5.7135]
_cell_length_b [7.4759]
_cell_length_c [8.5398]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.0539]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsHg3Au]
_chemical_formula_sum '[Cs2 Hg6 Au2]'
_cell_volume [360.2228]
_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  2  0.1515  0.7500  0.6549  1.0
  Hg  Hg1  4  0.2799  0.0441  0.0733  1.0
  Hg  Hg2  2  0.4435  0.2500  0.6816  1.0
  Au  Au3  2  0.0263  0.7500  0.2065  1.0
]