data_[Hg4Sb2Br16]
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/m]
_cell_length_a [15.2809]
_cell_length_b [8.5490]
_cell_length_c [6.8867]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.0670]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hg2SbBr8]
_chemical_formula_sum '[Hg4 Sb2 Br16]'
_cell_volume [899.4975]
_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  0.1825  0.0000  0.6248  1.0
  Sb  Sb1  2  0.0000  0.0000  0.0000  1.0
  Br  Br2  8  0.0713  0.2247  0.7615  1.0
  Br  Br3  4  0.1536  0.5000  0.3903  1.0
  Br  Br4  4  0.1537  0.0000  0.2084  1.0
]