data_[Cs8Hg4Au2]
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 [8.4906]
_cell_length_b [8.7145]
_cell_length_c [12.1197]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1252]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Cs4Hg2Au]
_chemical_formula_sum '[Cs8 Hg4 Au2]'
_cell_volume [847.2548]
_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  4  0.4697  0.5081  0.2212  1.0
  Cs  Cs1  2  0.0422  0.7500  0.8559  1.0
  Cs  Cs2  2  0.1022  0.7500  0.4345  1.0
  Hg  Hg3  2  0.2509  0.2500  0.9289  1.0
  Hg  Hg4  2  0.3561  0.2500  0.4711  1.0
  Au  Au5  2  0.1088  0.7500  0.1535  1.0
]