data_[Ag4Hg4Br12]
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 [Cmc2_1]
_cell_length_a [4.5417]
_cell_length_b [20.7727]
_cell_length_c [7.1674]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [AgHgBr3]
_chemical_formula_sum '[Ag4 Hg4 Br12]'
_cell_volume [676.1987]
_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  0.0000  0.1415  0.4693  1.0
  Hg  Hg1  4  0.0000  0.3539  0.4701  1.0
  Br  Br2  4  0.0000  0.0847  0.7989  1.0
  Br  Br3  4  0.0000  0.2510  0.2683  1.0
  Br  Br4  4  0.0000  0.4122  0.7875  1.0
]