data_[Cs4Hg12Bi2Au2]
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 [C2/m]
_cell_length_a [14.5935]
_cell_length_b [6.5636]
_cell_length_c [9.8703]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.0321]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Hg6BiAu]
_chemical_formula_sum '[Cs4 Hg12 Bi2 Au2]'
_cell_volume [744.6788]
_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  0.2359  0.5000  0.6876  1.0
  Hg  Hg1  8  0.0079  0.2507  0.7759  1.0
  Hg  Hg2  4  0.2420  0.5000  0.0871  1.0
  Bi  Bi3  2  0.0000  0.0000  0.5000  1.0
  Au  Au4  2  0.0000  0.5000  0.0000  1.0
]