data_[Cs4Hg4Pb4Br12]
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 [C2/m]
_cell_length_a [8.8018]
_cell_length_b [8.2565]
_cell_length_c [14.0730]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.7345]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsHgPbBr3]
_chemical_formula_sum '[Cs4 Hg4 Pb4 Br12]'
_cell_volume [1013.4179]
_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
[
  Cs  Cs0  4  0.1806  0.5000  0.2784  1
  Hg  Hg1  4  0.0000  0.2219  0.5000  1
  Pb  Pb2  4  0.1804  0.0000  0.1130  1
  Br  Br3  8  0.0895  0.2353  0.8776  1
  Br  Br4  4  0.2318  0.0000  0.3158  1
]