data_[Cs6Hg14Au8]
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 [C2/m]
_cell_length_a [19.0449]
_cell_length_b [5.1589]
_cell_length_c [10.8850]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.7111]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs3Hg7Au4]
_chemical_formula_sum '[Cs6 Hg14 Au8]'
_cell_volume [879.1415]
_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  0.1870  0.5000  0.1893  1
  Cs  Cs1  2  0.0000  0.0000  0.5000  1
  Hg  Hg2  4  0.0007  0.5000  0.2214  1
  Hg  Hg3  4  0.1634  0.0000  0.9227  1
  Hg  Hg4  4  0.1818  0.5000  0.5344  1
  Hg  Hg5  2  0.0000  0.0000  0.0000  1
  Au  Au6  4  0.1286  0.0000  0.3517  1
  Au  Au7  4  0.1582  0.5000  0.7820  1
]