data_[H4Au8Br24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  H  2.2000  0.2500  0.0000
  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 [12.3571]
_cell_length_b [16.5712]
_cell_length_c [7.6467]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.8654]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [H(AuBr3)2]
_chemical_formula_sum '[H4 Au8 Br24]'
_cell_volume [1344.0603]
_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
[
  H  H0  4  0.0000  0.3015  0.7500  1
  Au  Au1  8  0.2471  0.1594  0.8163  1
  Br  Br2  8  0.1148  0.4596  0.1259  1
  Br  Br3  8  0.1233  0.1347  0.4469  1
  Br  Br4  8  0.1495  0.3098  0.7903  1
]