data_[Ag16Hg4Te4Br8]
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
  Te  2.1000  1.4000  1.2933
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [8.3616]
_cell_length_b [8.3844]
_cell_length_c [11.5672]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [Ag4HgTeBr2]
_chemical_formula_sum '[Ag16 Hg4 Te4 Br8]'
_cell_volume [810.9454]
_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
[
  Ag  Ag0  8  0.0000  0.0148  0.2526  1
  Ag  Ag1  8  0.2498  0.2500  0.0021  1
  Hg  Hg2  4  0.0000  0.0000  0.0000  1
  Te  Te3  4  0.2500  0.2500  0.2500  1
  Br  Br4  4  0.0000  0.0000  0.5000  1
  Br  Br5  4  0.2500  0.2500  0.7500  1
]