data_[Cs4Cu4Hg2Cl12]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.0771]
_cell_length_b [7.5164]
_cell_length_c [7.6932]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.8541]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Cu2HgCl6]
_chemical_formula_sum '[Cs4 Cu4 Hg2 Cl12]'
_cell_volume [655.8402]
_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  0.2296  0.5000  0.2102  1.0
  Cu  Cu1  4  0.0596  0.0000  0.2066  1.0
  Hg  Hg2  2  0.0000  0.5000  0.5000  1.0
  Cl  Cl3  8  0.0262  0.2529  0.7802  1.0
  Cl  Cl4  4  0.2483  0.5000  0.7006  1.0
]