data_[Cs4Cd2Hg2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Cd  1.6900  1.5500  1.0900
  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 [8.2209]
_cell_length_b [7.8651]
_cell_length_c [14.1120]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.6567]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Cs2CdHgBr6]
_chemical_formula_sum '[Cs4 Cd2 Hg2 Br12]'
_cell_volume [750.5634]
_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  0.2438  0.5145  0.7476  1.0
  Cd  Cd1  2  0.0000  0.0000  0.5000  1.0
  Hg  Hg2  2  0.5000  0.0000  0.0000  1.0
  Br  Br3  4  0.1969  0.5045  0.2334  1.0
  Br  Br4  4  0.2274  0.2353  0.0180  1.0
  Br  Br5  4  0.3235  0.7419  0.0188  1.0
]