data_[Cs3Hg9Bi1Au2]
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
  Bi  2.0200  1.6000  1.0350
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [7.8507]
_cell_length_b [7.8507]
_cell_length_c [10.9024]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Cs3Hg9BiAu2]
_chemical_formula_sum '[Cs3 Hg9 Bi1 Au2]'
_cell_volume [581.9260]
_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  2  0.3333  0.6667  0.3582  1.0
  Cs  Cs1  1  0.0000  0.0000  0.0000  1.0
  Hg  Hg2  6  0.1628  0.3257  0.7024  1.0
  Hg  Hg3  3  0.0000  0.5000  0.0000  1.0
  Bi  Bi4  1  0.0000  0.0000  0.5000  1.0
  Au  Au5  2  0.3333  0.6667  0.8484  1.0
]