data_[Cs4Cu2Hg4Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Cu  1.9000  1.3500  0.8200
  Hg  2.0000  1.5000  1.2450
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.6178]
_cell_length_b [7.9192]
_cell_length_c [8.2478]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.0010]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Cu(HgBr3)2]
_chemical_formula_sum '[Cs4 Cu2 Hg4 Br12]'
_cell_volume [850.7018]
_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  0.2244  0.5000  0.1877  1
  Cu  Cu1  2  0.0000  0.5000  0.5000  1
  Hg  Hg2  4  0.0611  0.0000  0.1836  1
  Br  Br3  8  0.0328  0.2814  0.7412  1
  Br  Br4  4  0.2362  0.5000  0.6363  1
]