data_[Hg12Au4Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  Au  2.5400  1.3500  1.0700
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.4005]
_cell_length_b [6.0954]
_cell_length_c [10.7451]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.7898]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Hg3AuCl]
_chemical_formula_sum '[Hg12 Au4 Cl4]'
_cell_volume [531.9717]
_cell_formula_units_Z [4]
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
[
  Hg  Hg0  4  0.0312  0.0985  0.7068  1
  Hg  Hg1  4  0.2903  0.5863  0.5996  1
  Hg  Hg2  4  0.3399  0.0737  0.4916  1
  Au  Au3  4  0.0348  0.2190  0.9612  1
  Cl  Cl4  4  0.4049  0.5330  0.3159  1
]