data_[Hg4Sb8Br24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  Sb  2.0500  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [16.1767]
_cell_length_b [18.4358]
_cell_length_c [5.9702]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.7527]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Hg(SbBr3)2]
_chemical_formula_sum '[Hg4 Sb8 Br24]'
_cell_volume [1729.4502]
_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  0.0500  0.7500  1.0
  Sb  Sb1  8  0.1354  0.3868  0.6452  1.0
  Br  Br2  8  0.0985  0.4140  0.0449  1.0
  Br  Br3  8  0.1290  0.2505  0.6651  1.0
  Br  Br4  8  0.2057  0.0954  0.2189  1.0
]