data_[Hg5I4Br3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  I  2.6600  1.4000  1.2733
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.5969]
_cell_length_b [6.8210]
_cell_length_c [13.3869]
_cell_angle_alpha [75.4989]
_cell_angle_beta [78.0461]
_cell_angle_gamma [66.2107]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Hg5I4Br3]
_chemical_formula_sum '[Hg5 I4 Br3]'
_cell_volume [449.4845]
_cell_formula_units_Z [1]
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
[
  Hg  Hg0  2  0.1028  0.5212  0.2813  1
  Hg  Hg1  2  0.1114  0.1075  0.6467  1
  Hg  Hg2  1  0.5000  0.0000  0.0000  1
  I  I3  2  0.3464  0.7400  0.5580  1
  I  I4  2  0.3543  0.4068  0.8800  1
  Br  Br5  2  0.3182  0.1369  0.2294  1
  Br  Br6  1  0.0000  0.0000  0.0000  1
]