data_[Sn4Hg2S4Br4]
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
  S  2.5800  1.0000  0.8800
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.1499]
_cell_length_b [4.3386]
_cell_length_c [9.2927]
_cell_angle_alpha [90.0000]
_cell_angle_beta [129.0131]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sn2Hg(SBr)2]
_chemical_formula_sum '[Sn4 Hg2 S4 Br4]'
_cell_volume [443.2651]
_cell_formula_units_Z [2]
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  0.1327  0.0000  0.7414  1.0
  Hg  Hg1  2  0.0000  0.0000  0.0000  1.0
  S  S2  4  0.1958  0.0000  0.0788  1.0
  Br  Br3  4  0.0463  0.5000  0.3319  1.0
]