data_[Hg8Au4Br24]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.2431]
_cell_length_b [11.7364]
_cell_length_c [8.0914]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0863]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Hg2AuBr6]
_chemical_formula_sum '[Hg8 Au4 Br24]'
_cell_volume [1257.6094]
_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  8  0.1842  0.4310  0.2953  1.0
  Au  Au1  4  0.0000  0.0928  0.2500  1.0
  Br  Br2  8  0.1133  0.4016  0.6072  1.0
  Br  Br3  8  0.1152  0.0731  0.6479  1.0
  Br  Br4  8  0.1283  0.2375  0.1309  1.0
]