data_[Cs4Ag2Hg2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [P2_1/c]
_cell_length_a [8.0649]
_cell_length_b [8.0140]
_cell_length_c [13.9042]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.0693]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Cs2AgHgBr6]
_chemical_formula_sum '[Cs4 Ag2 Hg2 Br12]'
_cell_volume [735.5185]
_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
[
  Cs  Cs0  4  0.2491  0.5005  0.7499  1.0
  Ag  Ag1  2  0.0000  0.0000  0.5000  1.0
  Hg  Hg2  2  0.5000  0.0000  0.0000  1.0
  Br  Br3  4  0.2197  0.0035  0.7306  1.0
  Br  Br4  4  0.2359  0.7364  0.0057  1.0
  Br  Br5  4  0.2834  0.2288  0.0053  1.0
]