data_[Ag6Hg4Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  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 [14.7104]
_cell_length_b [8.1142]
_cell_length_c [7.6030]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.4129]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ag3(HgBr4)2]
_chemical_formula_sum '[Ag6 Hg4 Br16]'
_cell_volume [812.7804]
_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
[
  Ag  Ag0  4  0.0000  0.2497  0.0000  1.0
  Ag  Ag1  2  0.0000  0.0000  0.5000  1.0
  Hg  Hg2  4  0.1656  0.5000  0.6148  1.0
  Br  Br3  8  0.1228  0.2296  0.7600  1.0
  Br  Br4  4  0.1202  0.0000  0.2402  1.0
  Br  Br5  4  0.1221  0.5000  0.2327  1.0
]