data_[Sn4Hg8Br24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  Hg  2.0000  1.5000  1.2450
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.1154]
_cell_length_b [12.8909]
_cell_length_c [7.5552]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.6387]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sn(HgBr3)2]
_chemical_formula_sum '[Sn4 Hg8 Br24]'
_cell_volume [1351.1079]
_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
[
  Sn  Sn0  4  0.0000  0.1068  0.7500  1.0
  Hg  Hg1  8  0.1855  0.4161  0.8393  1.0
  Br  Br2  8  0.1199  0.0909  0.1263  1.0
  Br  Br3  8  0.1214  0.2541  0.6245  1.0
  Br  Br4  8  0.1243  0.4102  0.1509  1.0
]