data_[Hg6S4Br4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [P2_1/c]
_cell_length_a [6.7865]
_cell_length_b [7.5484]
_cell_length_c [10.1855]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.3964]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Hg3(SBr)2]
_chemical_formula_sum '[Hg6 S4 Br4]'
_cell_volume [425.3353]
_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
[
  Hg  Hg0  4  0.3572  0.5728  0.1821  1.0
  Hg  Hg1  2  0.0000  0.0000  0.0000  1.0
  S  S2  4  0.3811  0.6265  0.5855  1.0
  Br  Br3  4  0.1181  0.1150  0.3846  1.0
]