data_[Ag2Hg2Br2]
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 [Pm]
_cell_length_a [7.7071]
_cell_length_b [4.4283]
_cell_length_c [18.9919]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [AgHgBr]
_chemical_formula_sum '[Ag2 Hg2 Br2]'
_cell_volume [648.1776]
_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  1  0.1784  0.0000  0.4616  1
  Ag  Ag1  1  0.7091  0.5000  0.4494  1
  Hg  Hg2  1  0.1054  0.0000  0.6150  1
  Hg  Hg3  1  0.7721  0.5000  0.6013  1
  Br  Br4  1  0.3675  0.5000  0.4679  1
  Br  Br5  1  0.8669  0.0000  0.4048  1
]