data_[Ag4Hg4S4Br4]
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
  S  2.5800  1.0000  0.8800
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [9.9866]
_cell_length_b [4.6481]
_cell_length_c [9.8037]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [AgHgSBr]
_chemical_formula_sum '[Ag4 Hg4 S4 Br4]'
_cell_volume [455.0743]
_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  4  0.0876  0.0000  0.2091  1.0
  Hg  Hg1  2  0.0000  0.5000  0.5000  1.0
  Hg  Hg2  2  0.2500  0.5000  0.7705  1.0
  S  S3  4  0.0089  0.5000  0.7457  1.0
  Br  Br4  2  0.2500  0.0000  0.4638  1.0
  Br  Br5  2  0.2500  0.0000  0.9865  1.0
]