data_[Cs4Hg2Pb2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Hg  2.0000  1.5000  1.2450
  Pb  2.3300  1.8000  1.1225
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.1654]
_cell_length_b [8.2609]
_cell_length_c [14.2061]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.8477]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Cs2HgPbBr6]
_chemical_formula_sum '[Cs4 Hg2 Pb2 Br12]'
_cell_volume [786.4072]
_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  0.2384  0.5451  0.7494  1.0
  Hg  Hg1  2  0.0000  0.0000  0.5000  1.0
  Pb  Pb2  2  0.5000  0.0000  0.0000  1.0
  Br  Br3  4  0.1775  0.7202  0.4711  1.0
  Br  Br4  4  0.2504  0.2070  0.4711  1.0
  Br  Br5  4  0.2985  0.5019  0.2432  1.0
]