data_[Si4Hg2Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  Hg  2.0000  1.5000  1.2450
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.2972]
_cell_length_b [7.9632]
_cell_length_c [9.9956]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.7952]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Si2HgBr8]
_chemical_formula_sum '[Si4 Hg2 Br16]'
_cell_volume [1033.0996]
_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
[
  Si  Si0  4  0.2124  0.0000  0.6876  1.0
  Hg  Hg1  2  0.0000  0.0000  0.0000  1.0
  Br  Br2  8  0.1518  0.2270  0.7519  1.0
  Br  Br3  4  0.1170  0.5000  0.1971  1.0
  Br  Br4  4  0.1644  0.0000  0.4467  1.0
]