data_[Hg8S4Br4Cl4]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.7086]
_cell_length_b [4.3170]
_cell_length_c [11.8449]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.7494]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hg2SBrCl]
_chemical_formula_sum '[Hg8 S4 Br4 Cl4]'
_cell_volume [636.5931]
_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  0.0623  0.5000  0.3820  1
  Hg  Hg1  4  0.1489  0.0000  0.8368  1
  S  S2  4  0.0428  0.0000  0.2636  1
  Br  Br3  4  0.1511  0.5000  0.0552  1
  Cl  Cl4  4  0.1545  0.5000  0.6178  1
]