data_[Hg4Au8Br24]
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 [14.1869]
_cell_length_b [12.6829]
_cell_length_c [7.3106]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.0981]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Hg(AuBr3)2]
_chemical_formula_sum '[Hg4 Au8 Br24]'
_cell_volume [1295.0237]
_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  0.0000  0.1765  0.7500  1
  Au  Au1  8  0.2410  0.4167  0.1269  1
  Br  Br2  8  0.1326  0.4966  0.3397  1
  Br  Br3  8  0.1417  0.1521  0.0768  1
  Br  Br4  8  0.1484  0.1707  0.5830  1
]